3-amino-1,4-diphenylbutan-2-one

C16H17NO — CID 20792391

IUPAC3-amino-1,4-diphenylbutan-2-one
SMILESNC(Cc1ccccc1)C(=O)Cc1ccccc1
InChIInChI=1S/C16H17NO/c17-15(11-13-7-3-1-4-8-13)16(18)12-14-9-5-2-6-10-14/h1-10,15H,11-12,17H2
InChIKeyUSTQWSXTPXSCQL-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.37
Rot. Bonds5

About 3-amino-1,4-diphenylbutan-2-one

3-amino-1,4-diphenylbutan-2-one (PubChem CID 20792391) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-amino-1,4-diphenylbutan-2-one.

Molecular Properties

Compound Name3-amino-1,4-diphenylbutan-2-one
PubChem CID20792391
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name3-amino-1,4-diphenylbutan-2-one
SMILESNC(Cc1ccccc1)C(=O)Cc1ccccc1
InChIInChI=1S/C16H17NO/c17-15(11-13-7-3-1-4-8-13)16(18)12-14-9-5-2-6-10-14/h1-10,15H,11-12,17H2
InChIKeyUSTQWSXTPXSCQL-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1,3-diamino-4-phenylbutan-2-one
CID 69216452
3-amino-1-(2,6-difluorophenyl)-4-phenylbutan-2-one
CID 114935341
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071
3-amino-1-(3-chloro-4-fluorophenyl)-4-phenylbutan-2-one
CID 103042497
(2S)-2-amino-5-hydroxy-1-phenylpentan-3-one;ethane
CID 143599875
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride
CID 174870632

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,4-diphenylbutan-2-one?
The IUPAC name of 3-amino-1,4-diphenylbutan-2-one (CID 20792391) is 3-amino-1,4-diphenylbutan-2-one.
What is the SMILES notation for 3-amino-1,4-diphenylbutan-2-one?
The canonical SMILES for 3-amino-1,4-diphenylbutan-2-one is NC(Cc1ccccc1)C(=O)Cc1ccccc1.
What is the InChIKey of 3-amino-1,4-diphenylbutan-2-one?
The InChIKey is USTQWSXTPXSCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c17-15(11-13-7-3-1-4-8-13)16(18)12-14-9-5-2-6-10-14/h1-10,15H,11-12,17H2.
What are the key properties of 3-amino-1,4-diphenylbutan-2-one?
3-amino-1,4-diphenylbutan-2-one has a molecular weight of 239.32 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,4-diphenylbutan-2-one is sourced from PubChem (CID 20792391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).