1-[3-(1-amino-3-phenylpropyl)phenyl]ethanone

C17H19NO — CID 75598820

IUPAC1-[3-(1-amino-3-phenylpropyl)phenyl]ethanone
SMILESCC(=O)c1cccc(C(N)CCc2ccccc2)c1
InChIInChI=1S/C17H19NO/c1-13(19)15-8-5-9-16(12-15)17(18)11-10-14-6-3-2-4-7-14/h2-9,12,17H,10-11,18H2,1H3
InChIKeyBKCSJJRYRUZMSN-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.52
Rot. Bonds5

About 1-[3-(1-amino-3-phenylpropyl)phenyl]ethanone

1-[3-(1-amino-3-phenylpropyl)phenyl]ethanone (PubChem CID 75598820) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[3-(1-amino-3-phenylpropyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(1-amino-3-phenylpropyl)phenyl]ethanone
PubChem CID75598820
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name1-[3-(1-amino-3-phenylpropyl)phenyl]ethanone
SMILESCC(=O)c1cccc(C(N)CCc2ccccc2)c1
InChIInChI=1S/C17H19NO/c1-13(19)15-8-5-9-16(12-15)17(18)11-10-14-6-3-2-4-7-14/h2-9,12,17H,10-11,18H2,1H3
InChIKeyBKCSJJRYRUZMSN-UHFFFAOYSA-N
XLogP3.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine
CID 116544087
(2S)-N-(3-acetylphenyl)-2-amino-4-phenylbutane-1-sulfonamide
CID 20792319
methyl 3-(1-hydroxy-3-phenylpropyl)benzoate
CID 54312019
1-[3-[hydroxy(phenyl)methyl]phenyl]ethanone
CID 58616042
1-(3-ethoxyphenyl)-3-phenylpropan-1-amine
CID 60817898
(2R)-3-(3-acetylphenyl)-2-aminopropanoic acid
CID 150517437
2-amino-1,4-diphenylbutan-1-one;hydrochloride
CID 66915929
1-phenylethanone;phenylmethanamine
CID 174700909
(1R)-1,4-diphenylbutan-1-amine
CID 7131342
3-[(3S)-3-hydroxy-3-phenylpropyl]benzoic acid
CID 125468319
1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-amine
CID 105188013
2-methyl-1,4-diphenylbutan-1-one
CID 11413736

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-amino-3-phenylpropyl)phenyl]ethanone?
The IUPAC name of 1-[3-(1-amino-3-phenylpropyl)phenyl]ethanone (CID 75598820) is 1-[3-(1-amino-3-phenylpropyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(1-amino-3-phenylpropyl)phenyl]ethanone?
The canonical SMILES for 1-[3-(1-amino-3-phenylpropyl)phenyl]ethanone is CC(=O)c1cccc(C(N)CCc2ccccc2)c1.
What is the InChIKey of 1-[3-(1-amino-3-phenylpropyl)phenyl]ethanone?
The InChIKey is BKCSJJRYRUZMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-13(19)15-8-5-9-16(12-15)17(18)11-10-14-6-3-2-4-7-14/h2-9,12,17H,10-11,18H2,1H3.
What are the key properties of 1-[3-(1-amino-3-phenylpropyl)phenyl]ethanone?
1-[3-(1-amino-3-phenylpropyl)phenyl]ethanone has a molecular weight of 253.35 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-amino-3-phenylpropyl)phenyl]ethanone is sourced from PubChem (CID 75598820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).