4-[(2-chlorophenyl)-phenylmethyl]-N,N-dimethylaniline

C21H20ClN — CID 22115274

IUPAC4-[(2-chlorophenyl)-phenylmethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(c2ccccc2)c2ccccc2Cl)cc1
InChIInChI=1S/C21H20ClN/c1-23(2)18-14-12-17(13-15-18)21(16-8-4-3-5-9-16)19-10-6-7-11-20(19)22/h3-15,21H,1-2H3
InChIKeyPLVZVKMAPILVQD-UHFFFAOYSA-N
MW321.85 g/mol
LogP5.59
Rot. Bonds4

About 4-[(2-chlorophenyl)-phenylmethyl]-N,N-dimethylaniline

4-[(2-chlorophenyl)-phenylmethyl]-N,N-dimethylaniline (PubChem CID 22115274) has the molecular formula C21H20ClN and a molecular weight of 321.85 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)-phenylmethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(2-chlorophenyl)-phenylmethyl]-N,N-dimethylaniline
PubChem CID22115274
Molecular FormulaC21H20ClN
Molecular Weight321.85 g/mol
Exact Mass321.13
IUPAC Name4-[(2-chlorophenyl)-phenylmethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(c2ccccc2)c2ccccc2Cl)cc1
InChIInChI=1S/C21H20ClN/c1-23(2)18-14-12-17(13-15-18)21(16-8-4-3-5-9-16)19-10-6-7-11-20(19)22/h3-15,21H,1-2H3
InChIKeyPLVZVKMAPILVQD-UHFFFAOYSA-N
XLogP5.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.85
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 4-[(2-chlorophenyl)-phenylmethyl]-N,N-dimethylaniline 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

1-benzhydryl-2-chlorobenzene;methane
CID 159179204
4-[(2-ethenylphenyl)-phenylmethyl]-N,N-dimethylaniline
CID 150187096
4-[(5-bromo-2-chlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 54336392
4-[(4-iodophenyl)-phenylmethyl]-N,N-dimethylaniline
CID 138551235
N,N-dimethyl-4-[methylamino(phenyl)methyl]aniline
CID 115970393
4-[(5-chloro-1H-indol-3-yl)-phenylmethyl]-N,N-dimethylaniline
CID 102231510
N,N-dimethyl-4-[(1-methylindol-3-yl)-phenylmethyl]aniline
CID 86230420
4-[[[4-(dimethylamino)phenyl]-phenylmethoxy]-phenylmethyl]-N,N-dimethylaniline
CID 102127317
1-[(2-chlorophenyl)-[4-(dimethylamino)phenyl]methyl]piperidine-4-carboxylic acid
CID 4019605
2-[bis(4-chlorophenyl)methyl]-N,N-dimethylaniline
CID 23161679
4-[(3,5-dichlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 154612128
4-[(1R)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylaniline
CID 78935522

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)-phenylmethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(2-chlorophenyl)-phenylmethyl]-N,N-dimethylaniline (CID 22115274) is 4-[(2-chlorophenyl)-phenylmethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(2-chlorophenyl)-phenylmethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(2-chlorophenyl)-phenylmethyl]-N,N-dimethylaniline is CN(C)c1ccc(C(c2ccccc2)c2ccccc2Cl)cc1.
What is the InChIKey of 4-[(2-chlorophenyl)-phenylmethyl]-N,N-dimethylaniline?
The InChIKey is PLVZVKMAPILVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN/c1-23(2)18-14-12-17(13-15-18)21(16-8-4-3-5-9-16)19-10-6-7-11-20(19)22/h3-15,21H,1-2H3.
What are the key properties of 4-[(2-chlorophenyl)-phenylmethyl]-N,N-dimethylaniline?
4-[(2-chlorophenyl)-phenylmethyl]-N,N-dimethylaniline has a molecular weight of 321.85 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)-phenylmethyl]-N,N-dimethylaniline is sourced from PubChem (CID 22115274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).