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Prenylamine

C24H27N — CID 9801

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3,3-diphenyl-N-(1-phenylpropan-2-yl)propan-1-amine
SMILESCC(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27N/c1-20(19-21-11-5-2-6-12-21)25-18-17-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,24-25H,17-19H2,1H3
InChIKeyIFFPICMESYHZPQ-UHFFFAOYSA-N
MW329.49 g/mol
LogP5.43
Rot. Bonds8

About Prenylamine

Prenylamine (PubChem CID 9801) has the molecular formula C24H27N and a molecular weight of 329.49 g/mol. Its IUPAC name is 3,3-diphenyl-N-(1-phenylpropan-2-yl)propan-1-amine.

Molecular Properties

Compound NamePrenylamine
PubChem CID9801
Molecular FormulaC24H27N
Molecular Weight329.49 g/mol
Exact Mass329.21
IUPAC Name3,3-diphenyl-N-(1-phenylpropan-2-yl)propan-1-amine
SMILESCC(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27N/c1-20(19-21-11-5-2-6-12-21)25-18-17-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,24-25H,17-19H2,1H3
InChIKeyIFFPICMESYHZPQ-UHFFFAOYSA-N
XLogP5.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.49
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-3,3-diphenylpropan-1-amine
CID 1378355
4-[1-phenyl-3-(1-phenylpropan-2-ylamino)propyl]benzene-1,3-diol;hydrochloride
CID 6366655
N-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine
CID 7272117
3,3-diphenyl-N-(1-phenylethyl)propan-1-amine
CID 69294873
4,4-diphenyl-N-(4-phenylbutan-2-yl)butan-1-amine
CID 10316304
N-(1-phenylpropan-2-yl)hexan-1-amine
CID 10998534
(1-phenylpropan-2-ylamino)methanol
CID 54463712
1-phenyl-N-(2-piperidin-1-ylethyl)propan-2-amine
CID 114993345
(2S)-2-methyl-3-phenyl-N-[(2R)-1-phenylpropan-2-yl]propan-1-amine
CID 14397821
N-[1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]propan-2-yl]-3,3-diphenylpropan-1-amine;hydrochloride
CID 20540388
(2S)-1-phenyl-N-prop-2-enylpropan-2-amine
CID 101179457
1-phenyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine
CID 114173711

Frequently Asked Questions

What is the IUPAC name of Prenylamine?
The IUPAC name of Prenylamine (CID 9801) is 3,3-diphenyl-N-(1-phenylpropan-2-yl)propan-1-amine.
What is the SMILES notation for Prenylamine?
The canonical SMILES for Prenylamine is CC(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of Prenylamine?
The InChIKey is IFFPICMESYHZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N/c1-20(19-21-11-5-2-6-12-21)25-18-17-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,24-25H,17-19H2,1H3.
What are the key properties of Prenylamine?
Prenylamine has a molecular weight of 329.49 g/mol, XLogP of 5.43, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Prenylamine is sourced from PubChem (CID 9801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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