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2-(3,5-Dimethylphenoxy)ethanamine , CAS No.26646-46-8
Basic Description
Synonyms
26646-46-8 | 2-(3,5-dimethylphenoxy)ethanamine | 2-(3,5-Dimethyl-phenoxy)-ethylamine | 2-(3,5-dimethylphenoxy)ethylamine | Oprea1_286358 | Oprea1_671732 | SCHEMBL8195522 | DTXSID40364633 | MFCD04061702 | STK523740 | AKOS000145950 | 2-(3,5-dimethylphenoxy)ethan-1-amine | NCGC0033
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenol ethers
Alternative Parents
m-Xylenes Phenoxy compounds Alkyl aryl ethers Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenol ether - Xylene - M-xylene - Phenoxy compound - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Amine - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
2-(3,5-dimethylphenoxy)ethanamine
INCHI
InChI=1S/C10H15NO/c1-8-5-9(2)7-10(6-8)12-4-3-11/h5-7H,3-4,11H2,1-2H3
InChIKey
ZNNZYMKIVDOTPM-UHFFFAOYSA-N
Smiles
CC1=CC(=CC(=C1)OCCN)C
Isomeric SMILES
CC1=CC(=CC(=C1)OCCN)C
Molecular Weight
165.23
Reaxy-Rn
2084004
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2084004&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
165.230 g/mol
XLogP3
1.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
165.115 Da
Monoisotopic Mass
165.115 Da
Topological Polar Surface Area
35.300 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
117.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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