3-amino-4-methyl-1-(4-phenylphenyl)pentan-1-one

C18H21NO — CID 116606231

IUPAC3-amino-4-methyl-1-(4-phenylphenyl)pentan-1-one
SMILESCC(C)C(N)CC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H21NO/c1-13(2)17(19)12-18(20)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,17H,12,19H2,1-2H3
InChIKeyOOVSZDQWEMIACC-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.91
Rot. Bonds5

About 3-amino-4-methyl-1-(4-phenylphenyl)pentan-1-one

3-amino-4-methyl-1-(4-phenylphenyl)pentan-1-one (PubChem CID 116606231) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-amino-4-methyl-1-(4-phenylphenyl)pentan-1-one.

Molecular Properties

Compound Name3-amino-4-methyl-1-(4-phenylphenyl)pentan-1-one
PubChem CID116606231
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name3-amino-4-methyl-1-(4-phenylphenyl)pentan-1-one
SMILESCC(C)C(N)CC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H21NO/c1-13(2)17(19)12-18(20)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,17H,12,19H2,1-2H3
InChIKeyOOVSZDQWEMIACC-UHFFFAOYSA-N
XLogP3.91
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-5-oxo-5-[4-(4-phenylphenyl)phenyl]pentanoic acid
CID 23276830
[2-oxo-2-(4-phenylphenyl)ethyl] 3-hydroxybutanoate
CID 602375
[2-oxo-2-(4-phenylphenyl)ethyl] (3S)-3-phenylbutanoate
CID 7228115
3,4-dimethyl-1-phenylpentan-1-one
CID 24976524
3-amino-4,4-dimethyl-1-phenylpentan-1-one
CID 116608460
(3R)-1,3-diphenyl-3-(4-phenylphenyl)propan-1-one
CID 86338470
4-[4-(4-fluorophenyl)phenyl]-2-methyl-4-oxobutanoic acid
CID 24835772
3-amino-1-(3-methoxyphenyl)-4-methylpentan-1-one
CID 116606296
3-amino-1-(4-methylphenyl)butan-1-one
CID 55254036
(3S)-3-hydroxy-1-phenyl-3-(4-phenylphenyl)propan-1-one
CID 102595151
3-amino-4-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-one
CID 116606467
(3S)-3-amino-4-methyl-1-pyridin-2-ylpentan-1-one
CID 89242036

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-1-(4-phenylphenyl)pentan-1-one?
The IUPAC name of 3-amino-4-methyl-1-(4-phenylphenyl)pentan-1-one (CID 116606231) is 3-amino-4-methyl-1-(4-phenylphenyl)pentan-1-one.
What is the SMILES notation for 3-amino-4-methyl-1-(4-phenylphenyl)pentan-1-one?
The canonical SMILES for 3-amino-4-methyl-1-(4-phenylphenyl)pentan-1-one is CC(C)C(N)CC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-amino-4-methyl-1-(4-phenylphenyl)pentan-1-one?
The InChIKey is OOVSZDQWEMIACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13(2)17(19)12-18(20)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,17H,12,19H2,1-2H3.
What are the key properties of 3-amino-4-methyl-1-(4-phenylphenyl)pentan-1-one?
3-amino-4-methyl-1-(4-phenylphenyl)pentan-1-one has a molecular weight of 267.37 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-1-(4-phenylphenyl)pentan-1-one is sourced from PubChem (CID 116606231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).