4-(3-methylphenyl)-4,4-diphenylbutan-1-amine

C23H25N — CID 57326678

IUPAC4-(3-methylphenyl)-4,4-diphenylbutan-1-amine
SMILESCc1cccc(C(CCCN)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H25N/c1-19-10-8-15-22(18-19)23(16-9-17-24,20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-8,10-15,18H,9,16-17,24H2,1H3
InChIKeyCYKPIMPUPKXTNO-UHFFFAOYSA-N
MW315.46 g/mol
LogP5.07
Rot. Bonds6

About 4-(3-methylphenyl)-4,4-diphenylbutan-1-amine

4-(3-methylphenyl)-4,4-diphenylbutan-1-amine (PubChem CID 57326678) has the molecular formula C23H25N and a molecular weight of 315.46 g/mol. Its IUPAC name is 4-(3-methylphenyl)-4,4-diphenylbutan-1-amine.

Molecular Properties

Compound Name4-(3-methylphenyl)-4,4-diphenylbutan-1-amine
PubChem CID57326678
Molecular FormulaC23H25N
Molecular Weight315.46 g/mol
Exact Mass315.20
IUPAC Name4-(3-methylphenyl)-4,4-diphenylbutan-1-amine
SMILESCc1cccc(C(CCCN)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H25N/c1-19-10-8-15-22(18-19)23(16-9-17-24,20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-8,10-15,18H,9,16-17,24H2,1H3
InChIKeyCYKPIMPUPKXTNO-UHFFFAOYSA-N
XLogP5.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.46
LogP ≤ 55.07
H-Bond Donors ≤ 51
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-(3-methylphenyl)-4,4-diphenylbutan-1-amine?
The IUPAC name of 4-(3-methylphenyl)-4,4-diphenylbutan-1-amine (CID 57326678) is 4-(3-methylphenyl)-4,4-diphenylbutan-1-amine.
What is the SMILES notation for 4-(3-methylphenyl)-4,4-diphenylbutan-1-amine?
The canonical SMILES for 4-(3-methylphenyl)-4,4-diphenylbutan-1-amine is Cc1cccc(C(CCCN)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 4-(3-methylphenyl)-4,4-diphenylbutan-1-amine?
The InChIKey is CYKPIMPUPKXTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N/c1-19-10-8-15-22(18-19)23(16-9-17-24,20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-8,10-15,18H,9,16-17,24H2,1H3.
What are the key properties of 4-(3-methylphenyl)-4,4-diphenylbutan-1-amine?
4-(3-methylphenyl)-4,4-diphenylbutan-1-amine has a molecular weight of 315.46 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-4,4-diphenylbutan-1-amine is sourced from PubChem (CID 57326678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).