1-(4-chloro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine

C17H20ClNO2 — CID 105006926

IUPAC1-(4-chloro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)c(OC)c1)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C17H20ClNO2/c1-11-5-6-12(9-15(11)20-3)17(19-2)13-7-8-14(18)16(10-13)21-4/h5-10,17,19H,1-4H3
InChIKeyWWKDTEDPXBRTHS-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.97
Rot. Bonds5

About 1-(4-chloro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine

1-(4-chloro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine (PubChem CID 105006926) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
PubChem CID105006926
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name1-(4-chloro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)c(OC)c1)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C17H20ClNO2/c1-11-5-6-12(9-15(11)20-3)17(19-2)13-7-8-14(18)16(10-13)21-4/h5-10,17,19H,1-4H3
InChIKeyWWKDTEDPXBRTHS-UHFFFAOYSA-N
XLogP3.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chloro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine 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

1-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 43481405
1-(4-bromo-3-methylphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 105007011
1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 105006756
1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine
CID 79697755
1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 105006971
[(4-chloro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methyl]hydrazine
CID 105258314
1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 105006891
1-(4-bromo-2-chlorophenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 105006762
1-(4-bromo-5-chlorothiophen-2-yl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 102828202
1-(3,4-dimethylphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 81283805
1-(4-chloro-3-methoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 105007159
1-(5-fluoro-3-pyridinyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 115804713

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine (CID 105006926) is 1-(4-chloro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine is CNC(c1ccc(C)c(OC)c1)c1ccc(Cl)c(OC)c1.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine?
The InChIKey is WWKDTEDPXBRTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-11-5-6-12(9-15(11)20-3)17(19-2)13-7-8-14(18)16(10-13)21-4/h5-10,17,19H,1-4H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine?
1-(4-chloro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine has a molecular weight of 305.81 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 105006926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).