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

C15H13Cl4N — CID 17209606

IUPAC2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
SMILESClc1ccc(CCNCc2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl4N/c16-12-3-1-10(14(18)7-12)5-6-20-9-11-2-4-13(17)8-15(11)19/h1-4,7-8,20H,5-6,9H2
InChIKeyHOMNFZGVFSALBN-UHFFFAOYSA-N
MW349.09 g/mol
LogP5.63
Rot. Bonds5

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

2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine (PubChem CID 17209606) has the molecular formula C15H13Cl4N and a molecular weight of 349.09 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
PubChem CID17209606
Molecular FormulaC15H13Cl4N
Molecular Weight349.09 g/mol
Exact Mass346.98
IUPAC Name2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
SMILESClc1ccc(CCNCc2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl4N/c16-12-3-1-10(14(18)7-12)5-6-20-9-11-2-4-13(17)8-15(11)19/h1-4,7-8,20H,5-6,9H2
InChIKeyHOMNFZGVFSALBN-UHFFFAOYSA-N
XLogP5.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.09
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2,4-dichlorophenyl)-N-[(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-[(4-bromophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209550
2-(2,4-dichlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 63422918
2-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 2162369
4-[2-[(2,4-dichlorophenyl)methylamino]ethyl]phenol
CID 61237272
1-[2-(2,4-dichlorophenyl)ethylamino]propan-2-ol
CID 60885182
N-[(3-chloro-5-fluorophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 114452144
N-[2-(2,4-dichlorophenyl)ethyl]-2,2-difluoroethanamine
CID 60921887
3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol
CID 60672346
N-[(2-chloro-6-fluorophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine;hydrochloride
CID 17209609
2-(2,4-dichlorophenyl)-N-[[4-(difluoromethyl)phenyl]methyl]ethanamine
CID 115523434
N-[(2,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 4720305
N-[(2,4-dichlorophenyl)methyl]-3-fluoropropan-1-amine
CID 115733095

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine (CID 17209606) is 2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine is Clc1ccc(CCNCc2ccc(Cl)cc2Cl)c(Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine?
The InChIKey is HOMNFZGVFSALBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl4N/c16-12-3-1-10(14(18)7-12)5-6-20-9-11-2-4-13(17)8-15(11)19/h1-4,7-8,20H,5-6,9H2.
What are the key properties of 2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine?
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine has a molecular weight of 349.09 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine is sourced from PubChem (CID 17209606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).