2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-1-amine

C16H16Cl3N — CID 79442168

IUPAC2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl3N/c1-20-10-13(11-2-5-14(17)6-3-11)8-12-4-7-15(18)9-16(12)19/h2-7,9,13,20H,8,10H2,1H3
InChIKeyNJROFJIMAAOMPZ-UHFFFAOYSA-N
MW328.67 g/mol
LogP5.19
Rot. Bonds5

About 2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-1-amine

2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-1-amine (PubChem CID 79442168) has the molecular formula C16H16Cl3N and a molecular weight of 328.67 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-1-amine
PubChem CID79442168
Molecular FormulaC16H16Cl3N
Molecular Weight328.67 g/mol
Exact Mass327.03
IUPAC Name2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl3N/c1-20-10-13(11-2-5-14(17)6-3-11)8-12-4-7-15(18)9-16(12)19/h2-7,9,13,20H,8,10H2,1H3
InChIKeyNJROFJIMAAOMPZ-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.67
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-1-amine 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-(4-chlorophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
CID 79441418
3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine
CID 103049776
3-(4-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 81024440
2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79442386
2-(4-bromophenyl)-3-(5-chloro-2-fluorophenyl)-N-methylpropan-1-amine
CID 103049778
3-(5-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 103049752
2-[(2,4-dichlorophenyl)methyl]-N-methylpentan-1-amine
CID 62529520
[2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)propyl] methanesulfonate
CID 21499495
2-(4-chlorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 79441799
3-(2-chloro-4-fluorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine
CID 79440147
2-(2,4-dichlorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 63412888
2-(4-chlorophenyl)-N,5-dimethylhexan-1-amine
CID 79441719

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-1-amine (CID 79442168) is 2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-1-amine is CNCC(Cc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-1-amine?
The InChIKey is NJROFJIMAAOMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl3N/c1-20-10-13(11-2-5-14(17)6-3-11)8-12-4-7-15(18)9-16(12)19/h2-7,9,13,20H,8,10H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-1-amine?
2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-1-amine has a molecular weight of 328.67 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 79442168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).