(2S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)pentan-1-one

C14H20FNO — CID 121488314

IUPAC(2S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)pentan-1-one
SMILESCCC[C@H](NC(C)C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO/c1-4-5-13(16-10(2)3)14(17)11-6-8-12(15)9-7-11/h6-10,13,16H,4-5H2,1-3H3/t13-/m0/s1
InChIKeyOWNVSTVTZITAOJ-ZDUSSCGKSA-N
MW237.32 g/mol
LogP3.18
Rot. Bonds6

About (2S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)pentan-1-one

(2S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)pentan-1-one (PubChem CID 121488314) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is (2S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)pentan-1-one.

Molecular Properties

Compound Name(2S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)pentan-1-one
PubChem CID121488314
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name(2S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)pentan-1-one
SMILESCCC[C@H](NC(C)C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO/c1-4-5-13(16-10(2)3)14(17)11-6-8-12(15)9-7-11/h6-10,13,16H,4-5H2,1-3H3/t13-/m0/s1
InChIKeyOWNVSTVTZITAOJ-ZDUSSCGKSA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butan-2-ylamino)-1-phenylpentan-1-one;hydrochloride
CID 172871870
5-(4-methylphenyl)-5-oxo-4-(propan-2-ylamino)pentanoic acid
CID 82347542
2-[1-(4-fluorophenyl)propan-2-ylamino]pentanoic acid
CID 83041949
2-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-one
CID 91801769
N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 78770059
(2S)-2-amino-1-(4-fluorophenyl)butan-1-one
CID 6940476
1-(4-tert-butylphenyl)-2-methylpentan-1-one
CID 43160032
1,9-bis(4-fluorophenyl)-2,8-bis(methylamino)nonane-1,9-dione
CID 68636214
4-fluoro-N-hexan-2-ylbenzamide
CID 62199480
1-(4-fluorophenyl)-2-methylpentane-1,4-dione
CID 64720461
1-phenyl-2-(1-phenylpropan-2-ylamino)pentan-1-one;hydrochloride
CID 22297830
1-(4-fluorophenyl)-2-hydroxy-3-(propan-2-ylamino)propan-1-one
CID 165448441

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)pentan-1-one?
The IUPAC name of (2S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)pentan-1-one (CID 121488314) is (2S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)pentan-1-one.
What is the SMILES notation for (2S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)pentan-1-one?
The canonical SMILES for (2S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)pentan-1-one is CCC[C@H](NC(C)C)C(=O)c1ccc(F)cc1.
What is the InChIKey of (2S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)pentan-1-one?
The InChIKey is OWNVSTVTZITAOJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20FNO/c1-4-5-13(16-10(2)3)14(17)11-6-8-12(15)9-7-11/h6-10,13,16H,4-5H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)pentan-1-one?
(2S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)pentan-1-one has a molecular weight of 237.32 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)pentan-1-one is sourced from PubChem (CID 121488314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).