4-amino-1,4-diphenylbutan-1-one

C16H17NO — CID 116570833

IUPAC4-amino-1,4-diphenylbutan-1-one
SMILESNC(CCC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h1-10,15H,11-12,17H2
InChIKeyVCWXBTWEMBUPJA-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.35
Rot. Bonds5

About 4-amino-1,4-diphenylbutan-1-one

4-amino-1,4-diphenylbutan-1-one (PubChem CID 116570833) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-amino-1,4-diphenylbutan-1-one.

Molecular Properties

Compound Name4-amino-1,4-diphenylbutan-1-one
PubChem CID116570833
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name4-amino-1,4-diphenylbutan-1-one
SMILESNC(CCC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h1-10,15H,11-12,17H2
InChIKeyVCWXBTWEMBUPJA-UHFFFAOYSA-N
XLogP3.35
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(3,5-dimethylphenyl)-4-phenylbutan-1-one
CID 116570738
2-hydroxy-1,5-diphenylpentane-1,5-dione
CID 14316875
2-methyl-5-oxo-5-phenylpentanoic acid
CID 13462808
(1S)-1-phenylpropan-1-amine;1-phenylpropan-1-one
CID 160648144
6-amino-2-methyl-6-phenylhex-1-en-3-one
CID 116570824
(2S,3S)-2-amino-3-methyl-6-oxo-6-phenylhexanoic acid
CID 70430998
N-(3-amino-3-phenylpropyl)benzamide
CID 80506685
4-amino-1-(2-chloro-5-fluorophenyl)-4-phenylbutan-1-one
CID 105396454
(2R)-2-amino-6-oxo-6-phenylhexanoic acid
CID 106702793
1-amino-5-methyl-1-phenylheptan-4-one
CID 116570769
[(3S)-3-amino-3-phenylpropyl] carbamate
CID 90391967
4-chloro-1-phenylpentan-1-one
CID 14472970

Frequently Asked Questions

What is the IUPAC name of 4-amino-1,4-diphenylbutan-1-one?
The IUPAC name of 4-amino-1,4-diphenylbutan-1-one (CID 116570833) is 4-amino-1,4-diphenylbutan-1-one.
What is the SMILES notation for 4-amino-1,4-diphenylbutan-1-one?
The canonical SMILES for 4-amino-1,4-diphenylbutan-1-one is NC(CCC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 4-amino-1,4-diphenylbutan-1-one?
The InChIKey is VCWXBTWEMBUPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h1-10,15H,11-12,17H2.
What are the key properties of 4-amino-1,4-diphenylbutan-1-one?
4-amino-1,4-diphenylbutan-1-one has a molecular weight of 239.32 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,4-diphenylbutan-1-one is sourced from PubChem (CID 116570833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).