4-benzhydryl-N,N-dimethylaniline

C21H21N — CID 26316

IUPAC4-benzhydryl-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H21N/c1-22(2)20-15-13-19(14-16-20)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16,21H,1-2H3
InChIKeyCMWPUDHQIUJSCD-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.93
Rot. Bonds4

About 4-benzhydryl-N,N-dimethylaniline

4-benzhydryl-N,N-dimethylaniline (PubChem CID 26316) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-benzhydryl-N,N-dimethylaniline.

Molecular Properties

Compound Name4-benzhydryl-N,N-dimethylaniline
PubChem CID26316
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC Name4-benzhydryl-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H21N/c1-22(2)20-15-13-19(14-16-20)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16,21H,1-2H3
InChIKeyCMWPUDHQIUJSCD-UHFFFAOYSA-N
XLogP4.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.93
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-benzhydryl-N,N-dimethylaniline?
The IUPAC name of 4-benzhydryl-N,N-dimethylaniline (CID 26316) is 4-benzhydryl-N,N-dimethylaniline.
What is the SMILES notation for 4-benzhydryl-N,N-dimethylaniline?
The canonical SMILES for 4-benzhydryl-N,N-dimethylaniline is CN(C)c1ccc(C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-benzhydryl-N,N-dimethylaniline?
The InChIKey is CMWPUDHQIUJSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N/c1-22(2)20-15-13-19(14-16-20)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16,21H,1-2H3.
What are the key properties of 4-benzhydryl-N,N-dimethylaniline?
4-benzhydryl-N,N-dimethylaniline has a molecular weight of 287.41 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryl-N,N-dimethylaniline is sourced from PubChem (CID 26316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).