2-chloro-N-[(4-chlorophenyl)methyl]-2-phenylethanamine

C15H15Cl2N — CID 65026851

IUPAC2-chloro-N-[(4-chlorophenyl)methyl]-2-phenylethanamine
SMILESClc1ccc(CNCC(Cl)c2ccccc2)cc1
InChIInChI=1S/C15H15Cl2N/c16-14-8-6-12(7-9-14)10-18-11-15(17)13-4-2-1-3-5-13/h1-9,15,18H,10-11H2
InChIKeyPGHUCNJMCNWBTP-UHFFFAOYSA-N
MW280.20 g/mol
LogP4.41
Rot. Bonds5

About 2-chloro-N-[(4-chlorophenyl)methyl]-2-phenylethanamine

2-chloro-N-[(4-chlorophenyl)methyl]-2-phenylethanamine (PubChem CID 65026851) has the molecular formula C15H15Cl2N and a molecular weight of 280.20 g/mol. Its IUPAC name is 2-chloro-N-[(4-chlorophenyl)methyl]-2-phenylethanamine.

Molecular Properties

Compound Name2-chloro-N-[(4-chlorophenyl)methyl]-2-phenylethanamine
PubChem CID65026851
Molecular FormulaC15H15Cl2N
Molecular Weight280.20 g/mol
Exact Mass279.06
IUPAC Name2-chloro-N-[(4-chlorophenyl)methyl]-2-phenylethanamine
SMILESClc1ccc(CNCC(Cl)c2ccccc2)cc1
InChIInChI=1S/C15H15Cl2N/c16-14-8-6-12(7-9-14)10-18-11-15(17)13-4-2-1-3-5-13/h1-9,15,18H,10-11H2
InChIKeyPGHUCNJMCNWBTP-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[(4-chlorophenyl)methyl]-2-phenylethanamine 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-chloro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 65026294
N-[(3-bromophenyl)methyl]-2-chloro-2-phenylethanamine
CID 65024410
2-chloro-N-[(2,3-difluorophenyl)methyl]-2-phenylethanamine
CID 65026626
(2R,3S)-3-amino-1-[(4-chlorophenyl)methylamino]-4-phenylbutan-2-ol
CID 68609022
1-[(4-chlorophenyl)methylamino]propan-2-ol;hydrochloride
CID 17290383
N-[(4-chlorophenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 29031068
N-[(4-chlorophenyl)methyl]-2,3,3-triphenylpropanamide
CID 19165627
2-[(3,5-dichlorophenyl)methylamino]-1-phenylethanol
CID 60788575
1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N,N-diethylethane-1,2-diamine
CID 110826506
1-N-[(4-chlorophenyl)methyl]butane-1,2-diamine
CID 83960586
N-[(4-ethylphenyl)methyl]-2-phenylpropan-1-amine
CID 43079999
2-chloro-N-[(2-methyltetrazol-5-yl)methyl]-2-phenylethanamine
CID 107054007

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-chlorophenyl)methyl]-2-phenylethanamine?
The IUPAC name of 2-chloro-N-[(4-chlorophenyl)methyl]-2-phenylethanamine (CID 65026851) is 2-chloro-N-[(4-chlorophenyl)methyl]-2-phenylethanamine.
What is the SMILES notation for 2-chloro-N-[(4-chlorophenyl)methyl]-2-phenylethanamine?
The canonical SMILES for 2-chloro-N-[(4-chlorophenyl)methyl]-2-phenylethanamine is Clc1ccc(CNCC(Cl)c2ccccc2)cc1.
What is the InChIKey of 2-chloro-N-[(4-chlorophenyl)methyl]-2-phenylethanamine?
The InChIKey is PGHUCNJMCNWBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N/c16-14-8-6-12(7-9-14)10-18-11-15(17)13-4-2-1-3-5-13/h1-9,15,18H,10-11H2.
What are the key properties of 2-chloro-N-[(4-chlorophenyl)methyl]-2-phenylethanamine?
2-chloro-N-[(4-chlorophenyl)methyl]-2-phenylethanamine has a molecular weight of 280.20 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-chlorophenyl)methyl]-2-phenylethanamine is sourced from PubChem (CID 65026851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).