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

C16H16Cl3N — CID 106867306

IUPAC2-(2-chloro-4-methylphenyl)-1-(2,3-dichlorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(C)cc1Cl)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl3N/c1-10-6-7-11(14(18)8-10)9-15(20-2)12-4-3-5-13(17)16(12)19/h3-8,15,20H,9H2,1-2H3
InChIKeyBQZHLGMTOJYDDQ-UHFFFAOYSA-N
MW328.67 g/mol
LogP5.46
Rot. Bonds4

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

2-(2-chloro-4-methylphenyl)-1-(2,3-dichlorophenyl)-N-methylethanamine (PubChem CID 106867306) has the molecular formula C16H16Cl3N and a molecular weight of 328.67 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-(2,3-dichlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-(2,3-dichlorophenyl)-N-methylethanamine
PubChem CID106867306
Molecular FormulaC16H16Cl3N
Molecular Weight328.67 g/mol
Exact Mass327.03
IUPAC Name2-(2-chloro-4-methylphenyl)-1-(2,3-dichlorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(C)cc1Cl)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl3N/c1-10-6-7-11(14(18)8-10)9-15(20-2)12-4-3-5-13(17)16(12)19/h3-8,15,20H,9H2,1-2H3
InChIKeyBQZHLGMTOJYDDQ-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-(2,3-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

2-(2-chloro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 106867137
2-(2-chloro-4-methylphenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 106867237
1-(2,3-dichlorophenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 64560819
2-(2-chloro-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107947153
2-(3-chloro-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine
CID 106858929
2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 106866140
2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 106866146
1-(2-chloro-3-methylphenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106866364
(1S)-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine
CID 94343262
N-[2-(2-chloro-4-methylphenyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 106866272
1-(5-bromo-2-methylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine
CID 107312321
2-(2-chloro-4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 63033863

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(2,3-dichlorophenyl)-N-methylethanamine?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(2,3-dichlorophenyl)-N-methylethanamine (CID 106867306) is 2-(2-chloro-4-methylphenyl)-1-(2,3-dichlorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-(2,3-dichlorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-(2,3-dichlorophenyl)-N-methylethanamine is CNC(Cc1ccc(C)cc1Cl)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-(2,3-dichlorophenyl)-N-methylethanamine?
The InChIKey is BQZHLGMTOJYDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl3N/c1-10-6-7-11(14(18)8-10)9-15(20-2)12-4-3-5-13(17)16(12)19/h3-8,15,20H,9H2,1-2H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-(2,3-dichlorophenyl)-N-methylethanamine?
2-(2-chloro-4-methylphenyl)-1-(2,3-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-(2,3-dichlorophenyl)-N-methylethanamine is sourced from PubChem (CID 106867306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).