4,4-diphenyl-4-(3-propan-2-ylphenyl)butan-1-amine

C25H29N — CID 71582938

IUPAC4,4-diphenyl-4-(3-propan-2-ylphenyl)butan-1-amine
SMILESCC(C)c1cccc(C(CCCN)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H29N/c1-20(2)21-11-9-16-24(19-21)25(17-10-18-26,22-12-5-3-6-13-22)23-14-7-4-8-15-23/h3-9,11-16,19-20H,10,17-18,26H2,1-2H3
InChIKeyNCSCDWMSZFBJSU-UHFFFAOYSA-N
MW343.51 g/mol
LogP5.88
Rot. Bonds7

About 4,4-diphenyl-4-(3-propan-2-ylphenyl)butan-1-amine

4,4-diphenyl-4-(3-propan-2-ylphenyl)butan-1-amine (PubChem CID 71582938) has the molecular formula C25H29N and a molecular weight of 343.51 g/mol. Its IUPAC name is 4,4-diphenyl-4-(3-propan-2-ylphenyl)butan-1-amine.

Molecular Properties

Compound Name4,4-diphenyl-4-(3-propan-2-ylphenyl)butan-1-amine
PubChem CID71582938
Molecular FormulaC25H29N
Molecular Weight343.51 g/mol
Exact Mass343.23
IUPAC Name4,4-diphenyl-4-(3-propan-2-ylphenyl)butan-1-amine
SMILESCC(C)c1cccc(C(CCCN)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H29N/c1-20(2)21-11-9-16-24(19-21)25(17-10-18-26,22-12-5-3-6-13-22)23-14-7-4-8-15-23/h3-9,11-16,19-20H,10,17-18,26H2,1-2H3
InChIKeyNCSCDWMSZFBJSU-UHFFFAOYSA-N
XLogP5.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.51
LogP ≤ 55.88
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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Related Compounds

Prenylamine
CID 9801
Dehydroabietylamine
CID 62034
2,2-Diphenylethylamine
CID 77575
3,3-Diphenylpropylamine
CID 79698
Triphenylbutanamine
CID 57094730
Desmethylmaprotiline
CID 119409
Pramiverine
CID 71681
N-methyl-4,4-diphenylbutan-1-amine
CID 20293994
(2R)-3,3-bis(3-fluorophenyl)-2-methylpropan-1-amine
CID 9860006
(1-Phenylcyclohexyl)methanamine
CID 205110
Ethylamine, 2,2,2-triphenyl-, hydrochloride
CID 3033278
Etifelmine
CID 68840

Frequently Asked Questions

What is the IUPAC name of 4,4-diphenyl-4-(3-propan-2-ylphenyl)butan-1-amine?
The IUPAC name of 4,4-diphenyl-4-(3-propan-2-ylphenyl)butan-1-amine (CID 71582938) is 4,4-diphenyl-4-(3-propan-2-ylphenyl)butan-1-amine.
What is the SMILES notation for 4,4-diphenyl-4-(3-propan-2-ylphenyl)butan-1-amine?
The canonical SMILES for 4,4-diphenyl-4-(3-propan-2-ylphenyl)butan-1-amine is CC(C)c1cccc(C(CCCN)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 4,4-diphenyl-4-(3-propan-2-ylphenyl)butan-1-amine?
The InChIKey is NCSCDWMSZFBJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N/c1-20(2)21-11-9-16-24(19-21)25(17-10-18-26,22-12-5-3-6-13-22)23-14-7-4-8-15-23/h3-9,11-16,19-20H,10,17-18,26H2,1-2H3.
What are the key properties of 4,4-diphenyl-4-(3-propan-2-ylphenyl)butan-1-amine?
4,4-diphenyl-4-(3-propan-2-ylphenyl)butan-1-amine has a molecular weight of 343.51 g/mol, XLogP of 5.88, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diphenyl-4-(3-propan-2-ylphenyl)butan-1-amine is sourced from PubChem (CID 71582938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).