N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine

C25H29N — CID 20642754

IUPACN-(3,3-diphenylpropyl)-1-phenylbutan-1-amine
SMILESCCCC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29N/c1-2-12-25(23-17-10-5-11-18-23)26-20-19-24(21-13-6-3-7-14-21)22-15-8-4-9-16-22/h3-11,13-18,24-26H,2,12,19-20H2,1H3
InChIKeyOIEYGBRZLFIULQ-UHFFFAOYSA-N
MW343.51 g/mol
LogP6.34
Rot. Bonds9

About N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine

N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine (PubChem CID 20642754) has the molecular formula C25H29N and a molecular weight of 343.51 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-1-phenylbutan-1-amine
PubChem CID20642754
Molecular FormulaC25H29N
Molecular Weight343.51 g/mol
Exact Mass343.23
IUPAC NameN-(3,3-diphenylpropyl)-1-phenylbutan-1-amine
SMILESCCCC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29N/c1-2-12-25(23-17-10-5-11-18-23)26-20-19-24(21-13-6-3-7-14-21)22-15-8-4-9-16-22/h3-11,13-18,24-26H,2,12,19-20H2,1H3
InChIKeyOIEYGBRZLFIULQ-UHFFFAOYSA-N
XLogP6.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.51
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-N-(1-phenylbutyl)hexan-1-amine
CID 115324964
5-(1-phenylbutylamino)pentan-1-ol
CID 113350448
1-phenyl-N-(3-phenylpropyl)butan-1-amine;hydrochloride
CID 3027694
N-(3-cyclopentylpropyl)-1-phenylbutan-1-amine
CID 106008352
N-(2-cyclopentyloxyethyl)-1-phenylbutan-1-amine
CID 63824425
1-phenyl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 43098185
N-[2-(2-fluorophenyl)ethyl]-1-phenylbutan-1-amine
CID 43108094
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
N-pentyl-1-phenyldecan-1-amine
CID 10380274
1-phenyl-N-prop-2-enylbutan-1-amine
CID 43177099
N-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenylbutan-1-amine
CID 61241035
3,3-diphenyl-N-(1-phenylethyl)propan-1-amine
CID 69294873

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine?
The IUPAC name of N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine (CID 20642754) is N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine.
What is the SMILES notation for N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine?
The canonical SMILES for N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine is CCCC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine?
The InChIKey is OIEYGBRZLFIULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N/c1-2-12-25(23-17-10-5-11-18-23)26-20-19-24(21-13-6-3-7-14-21)22-15-8-4-9-16-22/h3-11,13-18,24-26H,2,12,19-20H2,1H3.
What are the key properties of N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine?
N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine has a molecular weight of 343.51 g/mol, XLogP of 6.34, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine is sourced from PubChem (CID 20642754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).