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

C17H18Cl3N — CID 79436036

IUPAC2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-N-ethylpropan-1-amine
SMILESCCNCC(Cc1ccc(Cl)cc1Cl)c1ccccc1Cl
InChIInChI=1S/C17H18Cl3N/c1-2-21-11-13(15-5-3-4-6-16(15)19)9-12-7-8-14(18)10-17(12)20/h3-8,10,13,21H,2,9,11H2,1H3
InChIKeyPKGHGLPNYMJEJD-UHFFFAOYSA-N
MW342.70 g/mol
LogP5.58
Rot. Bonds6

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

2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-N-ethylpropan-1-amine (PubChem CID 79436036) has the molecular formula C17H18Cl3N and a molecular weight of 342.70 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-N-ethylpropan-1-amine
PubChem CID79436036
Molecular FormulaC17H18Cl3N
Molecular Weight342.70 g/mol
Exact Mass341.05
IUPAC Name2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-N-ethylpropan-1-amine
SMILESCCNCC(Cc1ccc(Cl)cc1Cl)c1ccccc1Cl
InChIInChI=1S/C17H18Cl3N/c1-2-21-11-13(15-5-3-4-6-16(15)19)9-12-7-8-14(18)10-17(12)20/h3-8,10,13,21H,2,9,11H2,1H3
InChIKeyPKGHGLPNYMJEJD-UHFFFAOYSA-N
XLogP5.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.70
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-N-ethylpropan-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

3-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylpropan-1-amine
CID 79435741
2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)propan-1-amine
CID 79448884
2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 79436038
2-[(2,4-dichlorophenyl)methyl]-N-ethylpentan-1-amine
CID 55196979
3-(2-chloro-4-fluorophenyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79439309
2-(2-chlorophenyl)-N-ethyl-3-(3-methoxyphenyl)propan-1-amine
CID 79436045
3-(5-chloro-2-fluorophenyl)-N-ethyl-2-phenylpropan-1-amine
CID 103049753
2-(2-chlorophenyl)-3-(3-chlorophenyl)-N-propylpropan-1-amine
CID 79436816
2-(2-bromophenyl)-3-(2,3-dichlorophenyl)-N-ethylpropan-1-amine
CID 107309793
2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-1-amine
CID 79449422
2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-1-amine
CID 79442168
3-(4-chloro-2-fluorophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine
CID 114858835

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-N-ethylpropan-1-amine?
The IUPAC name of 2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-N-ethylpropan-1-amine (CID 79436036) is 2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-N-ethylpropan-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-N-ethylpropan-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-N-ethylpropan-1-amine is CCNCC(Cc1ccc(Cl)cc1Cl)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-N-ethylpropan-1-amine?
The InChIKey is PKGHGLPNYMJEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl3N/c1-2-21-11-13(15-5-3-4-6-16(15)19)9-12-7-8-14(18)10-17(12)20/h3-8,10,13,21H,2,9,11H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-N-ethylpropan-1-amine?
2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-N-ethylpropan-1-amine has a molecular weight of 342.70 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-N-ethylpropan-1-amine is sourced from PubChem (CID 79436036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).