1-(3-chlorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]ethanamine

C17H20ClNO2 — CID 43078961

IUPAC1-(3-chlorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
SMILESCOc1cc(CNC(C)c2cccc(Cl)c2)cc(OC)c1
InChIInChI=1S/C17H20ClNO2/c1-12(14-5-4-6-15(18)9-14)19-11-13-7-16(20-2)10-17(8-13)21-3/h4-10,12,19H,11H2,1-3H3
InChIKeyGVWGXIVDLBXQII-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.21
Rot. Bonds6

About 1-(3-chlorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]ethanamine

1-(3-chlorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]ethanamine (PubChem CID 43078961) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
PubChem CID43078961
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name1-(3-chlorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
SMILESCOc1cc(CNC(C)c2cccc(Cl)c2)cc(OC)c1
InChIInChI=1S/C17H20ClNO2/c1-12(14-5-4-6-15(18)9-14)19-11-13-7-16(20-2)10-17(8-13)21-3/h4-10,12,19H,11H2,1-3H3
InChIKeyGVWGXIVDLBXQII-UHFFFAOYSA-N
XLogP4.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chlorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]ethanamine 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

(1R)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649459
(1S)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649457
1-(3-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 54940014
1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 43080024
(1R)-1-(3-chlorophenyl)-N-[[4-(difluoromethoxy)phenyl]methyl]ethanamine
CID 29031162
(1S)-N-[(4-bromophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 28649443
2-[3-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]phenoxy]acetonitrile
CID 81362047
(1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
CID 30052784
1-(3-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43181407
(1R)-N-[(3,4-dichlorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376275
(1R)-N-[(3,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 28623582
N-[(3,5-dimethoxyphenyl)methyl]-1-pyridin-4-ylethanamine
CID 43181021

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]ethanamine (CID 43078961) is 1-(3-chlorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]ethanamine is COc1cc(CNC(C)c2cccc(Cl)c2)cc(OC)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]ethanamine?
The InChIKey is GVWGXIVDLBXQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-12(14-5-4-6-15(18)9-14)19-11-13-7-16(20-2)10-17(8-13)21-3/h4-10,12,19H,11H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]ethanamine?
1-(3-chlorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]ethanamine has a molecular weight of 305.81 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 43078961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).