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

C24H27N — CID 71582937

IUPAC4-(3-ethylphenyl)-4,4-diphenylbutan-1-amine
SMILESCCc1cccc(C(CCCN)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H27N/c1-2-20-11-9-16-23(19-20)24(17-10-18-25,21-12-5-3-6-13-21)22-14-7-4-8-15-22/h3-9,11-16,19H,2,10,17-18,25H2,1H3
InChIKeyIXVMCANTGMOZNZ-UHFFFAOYSA-N
MW329.49 g/mol
LogP5.32
Rot. Bonds7

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

4-(3-ethylphenyl)-4,4-diphenylbutan-1-amine (PubChem CID 71582937) has the molecular formula C24H27N and a molecular weight of 329.49 g/mol. Its IUPAC name is 4-(3-ethylphenyl)-4,4-diphenylbutan-1-amine.

Molecular Properties

Compound Name4-(3-ethylphenyl)-4,4-diphenylbutan-1-amine
PubChem CID71582937
Molecular FormulaC24H27N
Molecular Weight329.49 g/mol
Exact Mass329.21
IUPAC Name4-(3-ethylphenyl)-4,4-diphenylbutan-1-amine
SMILESCCc1cccc(C(CCCN)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H27N/c1-2-20-11-9-16-23(19-20)24(17-10-18-25,21-12-5-3-6-13-21)22-14-7-4-8-15-22/h3-9,11-16,19H,2,10,17-18,25H2,1H3
InChIKeyIXVMCANTGMOZNZ-UHFFFAOYSA-N
XLogP5.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.49
LogP ≤ 55.32
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-ethylphenyl)-4,4-diphenylbutan-1-amine?
The IUPAC name of 4-(3-ethylphenyl)-4,4-diphenylbutan-1-amine (CID 71582937) is 4-(3-ethylphenyl)-4,4-diphenylbutan-1-amine.
What is the SMILES notation for 4-(3-ethylphenyl)-4,4-diphenylbutan-1-amine?
The canonical SMILES for 4-(3-ethylphenyl)-4,4-diphenylbutan-1-amine is CCc1cccc(C(CCCN)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 4-(3-ethylphenyl)-4,4-diphenylbutan-1-amine?
The InChIKey is IXVMCANTGMOZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N/c1-2-20-11-9-16-23(19-20)24(17-10-18-25,21-12-5-3-6-13-21)22-14-7-4-8-15-22/h3-9,11-16,19H,2,10,17-18,25H2,1H3.
What are the key properties of 4-(3-ethylphenyl)-4,4-diphenylbutan-1-amine?
4-(3-ethylphenyl)-4,4-diphenylbutan-1-amine has a molecular weight of 329.49 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylphenyl)-4,4-diphenylbutan-1-amine is sourced from PubChem (CID 71582937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).