N-[(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]ethanamine

C16H16Cl3N — CID 63502248

IUPACN-[(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl3N/c1-3-20-16(11-5-4-10(2)14(18)8-11)13-7-6-12(17)9-15(13)19/h4-9,16,20H,3H2,1-2H3
InChIKeyPRGQZRBKFRRKOS-UHFFFAOYSA-N
MW328.67 g/mol
LogP5.65
Rot. Bonds4

About N-[(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]ethanamine

N-[(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]ethanamine (PubChem CID 63502248) has the molecular formula C16H16Cl3N and a molecular weight of 328.67 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]ethanamine
PubChem CID63502248
Molecular FormulaC16H16Cl3N
Molecular Weight328.67 g/mol
Exact Mass327.03
IUPAC NameN-[(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl3N/c1-3-20-16(11-5-4-10(2)14(18)8-11)13-7-6-12(17)9-15(13)19/h4-9,16,20H,3H2,1-2H3
InChIKeyPRGQZRBKFRRKOS-UHFFFAOYSA-N
XLogP5.65
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 ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]ethanamine 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

N-[(2,4-dichlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487938
N-[(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine
CID 107561868
N-[(3-chloro-4-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 115852524
N-[(2,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 81288457
N-[(5-chloro-2-methylphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 82870566
N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]ethanamine
CID 82884123
N-[(3-chloro-4-methylphenyl)-(4-chloro-3-methylphenyl)methyl]ethanamine
CID 107562052
N-[(2-chloro-4,5-dimethylphenyl)-(4-chlorophenyl)methyl]ethanamine
CID 115484011
N-[(4-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487968
N-[(3-chloro-4-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 82874215
N-[(2,4-dichlorophenyl)-(3,5-difluorophenyl)methyl]ethanamine
CID 63502767
N-[(2-bromo-4-fluorophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine
CID 107560861

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]ethanamine (CID 63502248) is N-[(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]ethanamine is CCNC(c1ccc(C)c(Cl)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]ethanamine?
The InChIKey is PRGQZRBKFRRKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl3N/c1-3-20-16(11-5-4-10(2)14(18)8-11)13-7-6-12(17)9-15(13)19/h4-9,16,20H,3H2,1-2H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]ethanamine?
N-[(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]ethanamine has a molecular weight of 328.67 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]ethanamine is sourced from PubChem (CID 63502248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).