N-[(3-phenylphenyl)methyl]-1-(2,4,6-trichlorophenyl)ethanamine

C21H18Cl3N — CID 22483419

IUPACN-[(3-phenylphenyl)methyl]-1-(2,4,6-trichlorophenyl)ethanamine
SMILESCC(NCc1cccc(-c2ccccc2)c1)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C21H18Cl3N/c1-14(21-19(23)11-18(22)12-20(21)24)25-13-15-6-5-9-17(10-15)16-7-3-2-4-8-16/h2-12,14,25H,13H2,1H3
InChIKeyQMJWFJPRJNCXOA-UHFFFAOYSA-N
MW390.74 g/mol
LogP7.16
Rot. Bonds5

About N-[(3-phenylphenyl)methyl]-1-(2,4,6-trichlorophenyl)ethanamine

N-[(3-phenylphenyl)methyl]-1-(2,4,6-trichlorophenyl)ethanamine (PubChem CID 22483419) has the molecular formula C21H18Cl3N and a molecular weight of 390.74 g/mol. Its IUPAC name is N-[(3-phenylphenyl)methyl]-1-(2,4,6-trichlorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-phenylphenyl)methyl]-1-(2,4,6-trichlorophenyl)ethanamine
PubChem CID22483419
Molecular FormulaC21H18Cl3N
Molecular Weight390.74 g/mol
Exact Mass389.05
IUPAC NameN-[(3-phenylphenyl)methyl]-1-(2,4,6-trichlorophenyl)ethanamine
SMILESCC(NCc1cccc(-c2ccccc2)c1)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C21H18Cl3N/c1-14(21-19(23)11-18(22)12-20(21)24)25-13-15-6-5-9-17(10-15)16-7-3-2-4-8-16/h2-12,14,25H,13H2,1H3
InChIKeyQMJWFJPRJNCXOA-UHFFFAOYSA-N
XLogP7.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.74
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(3-phenylphenyl)methyl]-1-(2,4,6-trichlorophenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-phenylphenyl)methyl]-1-(2,4,6-trichlorophenyl)ethanamine?
The IUPAC name of N-[(3-phenylphenyl)methyl]-1-(2,4,6-trichlorophenyl)ethanamine (CID 22483419) is N-[(3-phenylphenyl)methyl]-1-(2,4,6-trichlorophenyl)ethanamine.
What is the SMILES notation for N-[(3-phenylphenyl)methyl]-1-(2,4,6-trichlorophenyl)ethanamine?
The canonical SMILES for N-[(3-phenylphenyl)methyl]-1-(2,4,6-trichlorophenyl)ethanamine is CC(NCc1cccc(-c2ccccc2)c1)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of N-[(3-phenylphenyl)methyl]-1-(2,4,6-trichlorophenyl)ethanamine?
The InChIKey is QMJWFJPRJNCXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl3N/c1-14(21-19(23)11-18(22)12-20(21)24)25-13-15-6-5-9-17(10-15)16-7-3-2-4-8-16/h2-12,14,25H,13H2,1H3.
What are the key properties of N-[(3-phenylphenyl)methyl]-1-(2,4,6-trichlorophenyl)ethanamine?
N-[(3-phenylphenyl)methyl]-1-(2,4,6-trichlorophenyl)ethanamine has a molecular weight of 390.74 g/mol, XLogP of 7.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenylphenyl)methyl]-1-(2,4,6-trichlorophenyl)ethanamine is sourced from PubChem (CID 22483419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).