(1S)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine

C17H20ClNO2 — CID 81354628

IUPAC(1S)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc([C@H](C)NCc2ccc(OC)c(Cl)c2)c1
InChIInChI=1S/C17H20ClNO2/c1-12(14-5-4-6-15(10-14)20-2)19-11-13-7-8-17(21-3)16(18)9-13/h4-10,12,19H,11H2,1-3H3/t12-/m0/s1
InChIKeyWWFLGWFJOAOFCX-LBPRGKRZSA-N
MW305.81 g/mol
LogP4.21
Rot. Bonds6

About (1S)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine

(1S)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine (PubChem CID 81354628) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is (1S)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
PubChem CID81354628
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name(1S)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc([C@H](C)NCc2ccc(OC)c(Cl)c2)c1
InChIInChI=1S/C17H20ClNO2/c1-12(14-5-4-6-15(10-14)20-2)19-11-13-7-8-17(21-3)16(18)9-13/h4-10,12,19H,11H2,1-3H3/t12-/m0/s1
InChIKeyWWFLGWFJOAOFCX-LBPRGKRZSA-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 (1S)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)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)-N-[(3,4-dichlorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376275
2-methoxy-5-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81354169
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine
CID 65022720
(1R)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649459
(1S)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649457
(1S)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-pyridin-4-ylethanamine
CID 81405869
(1R)-N-[(3,4-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376127
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 65022718
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 65022037
(1R)-N-[(3-bromo-4-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376213
1-(3-bromo-4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 43230853
(1S)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 102615845

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of (1S)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine (CID 81354628) is (1S)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for (1S)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine is COc1cccc([C@H](C)NCc2ccc(OC)c(Cl)c2)c1.
What is the InChIKey of (1S)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine?
The InChIKey is WWFLGWFJOAOFCX-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-12(14-5-4-6-15(10-14)20-2)19-11-13-7-8-17(21-3)16(18)9-13/h4-10,12,19H,11H2,1-3H3/t12-/m0/s1.
What are the key properties of (1S)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine?
(1S)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)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 (1S)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 81354628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).