3-(2-chloro-4-methylphenoxy)-N,2-dimethylpropan-1-amine

C12H18ClNO — CID 62672408

IUPAC3-(2-chloro-4-methylphenoxy)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)COc1ccc(C)cc1Cl
InChIInChI=1S/C12H18ClNO/c1-9-4-5-12(11(13)6-9)15-8-10(2)7-14-3/h4-6,10,14H,7-8H2,1-3H3
InChIKeyIMFJDFSTIVQZCJ-UHFFFAOYSA-N
MW227.73 g/mol
LogP2.88
Rot. Bonds5

About 3-(2-chloro-4-methylphenoxy)-N,2-dimethylpropan-1-amine

3-(2-chloro-4-methylphenoxy)-N,2-dimethylpropan-1-amine (PubChem CID 62672408) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 3-(2-chloro-4-methylphenoxy)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-4-methylphenoxy)-N,2-dimethylpropan-1-amine
PubChem CID62672408
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name3-(2-chloro-4-methylphenoxy)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)COc1ccc(C)cc1Cl
InChIInChI=1S/C12H18ClNO/c1-9-4-5-12(11(13)6-9)15-8-10(2)7-14-3/h4-6,10,14H,7-8H2,1-3H3
InChIKeyIMFJDFSTIVQZCJ-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-chloro-4-methylphenoxy)-N,2-dimethylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 64855623
2-(2-chloro-4-methylphenoxy)-1-cyclohexyl-N-methylethanamine
CID 104749395
3-(5-bromo-2-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 107285213
2-(2-chloro-4-methylphenoxy)-1-(2,5-dimethylphenyl)-N-methylethanamine
CID 63500567
2-chloro-1-(2,2-diethoxyethoxy)-4-methylbenzene
CID 63628940
2-(2-chloro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine
CID 62671114
(2R)-1-(2-chloro-4-methylphenoxy)-3-methoxypropan-2-ol
CID 167829442
2-(2-chloro-4-methylphenoxy)-N-methyl-1-(2-methylphenyl)ethanamine
CID 62670922
1-(2-chloro-4-methylphenoxy)-3-(propylamino)propan-2-ol
CID 62671258
1-[2-(bromomethyl)butoxy]-2-chloro-4-methylbenzene
CID 64995229
1-(2-chloro-4-methylphenoxy)-N-ethyl-3,3-dimethylbutan-2-amine
CID 62671081
1-(2-chloro-4-methylphenoxy)-3-[1-(4-chlorophenyl)ethylamino]propan-2-ol;hydrochloride
CID 138960404

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-methylphenoxy)-N,2-dimethylpropan-1-amine?
The IUPAC name of 3-(2-chloro-4-methylphenoxy)-N,2-dimethylpropan-1-amine (CID 62672408) is 3-(2-chloro-4-methylphenoxy)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2-chloro-4-methylphenoxy)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(2-chloro-4-methylphenoxy)-N,2-dimethylpropan-1-amine is CNCC(C)COc1ccc(C)cc1Cl.
What is the InChIKey of 3-(2-chloro-4-methylphenoxy)-N,2-dimethylpropan-1-amine?
The InChIKey is IMFJDFSTIVQZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-9-4-5-12(11(13)6-9)15-8-10(2)7-14-3/h4-6,10,14H,7-8H2,1-3H3.
What are the key properties of 3-(2-chloro-4-methylphenoxy)-N,2-dimethylpropan-1-amine?
3-(2-chloro-4-methylphenoxy)-N,2-dimethylpropan-1-amine has a molecular weight of 227.73 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-methylphenoxy)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 62672408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).