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'}

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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).