2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine

C16H16Cl3N — CID 106866146

IUPAC2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(C)cc1Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl3N/c1-10-3-4-11(14(18)7-10)9-16(20-2)12-5-6-13(17)15(19)8-12/h3-8,16,20H,9H2,1-2H3
InChIKeyNPBIQEODXQJKTK-UHFFFAOYSA-N
MW328.67 g/mol
LogP5.46
Rot. Bonds4

About 2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine

2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine (PubChem CID 106866146) has the molecular formula C16H16Cl3N and a molecular weight of 328.67 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
PubChem CID106866146
Molecular FormulaC16H16Cl3N
Molecular Weight328.67 g/mol
Exact Mass327.03
IUPAC Name2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(C)cc1Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl3N/c1-10-3-4-11(14(18)7-10)9-16(20-2)12-5-6-13(17)15(19)8-12/h3-8,16,20H,9H2,1-2H3
InChIKeyNPBIQEODXQJKTK-UHFFFAOYSA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.67
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine 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-(3-chloro-4-iodophenyl)-2-(2-chloro-4-methylphenyl)-N-methylethanamine
CID 106866324
2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)ethanol
CID 106866180
2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 106866140
2-(2-chloro-4-methylphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine
CID 106867801
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 43486451
2-(2-chloro-4-methylphenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-methylethanamine
CID 106868740
1-(3-chloro-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63418747
2-(2,4-dichlorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 63412888
2-(2-chloro-4-methylphenyl)-1-(2,3-dichlorophenyl)-N-methylethanamine
CID 106867306
2-(2-chloro-4-methylphenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106867910
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
2-(2-chloro-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107947153

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine (CID 106866146) is 2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine is CNC(Cc1ccc(C)cc1Cl)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine?
The InChIKey is NPBIQEODXQJKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl3N/c1-10-3-4-11(14(18)7-10)9-16(20-2)12-5-6-13(17)15(19)8-12/h3-8,16,20H,9H2,1-2H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine?
2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine has a molecular weight of 328.67 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine is sourced from PubChem (CID 106866146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).