5-amino-1-(2-fluorophenyl)-3-methylpentan-2-one

C12H16FNO — CID 116594933

IUPAC5-amino-1-(2-fluorophenyl)-3-methylpentan-2-one
SMILESCC(CCN)C(=O)Cc1ccccc1F
InChIInChI=1S/C12H16FNO/c1-9(6-7-14)12(15)8-10-4-2-3-5-11(10)13/h2-5,9H,6-8,14H2,1H3
InChIKeyROCNAHKFSJCFMY-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.92
Rot. Bonds5

About 5-amino-1-(2-fluorophenyl)-3-methylpentan-2-one

5-amino-1-(2-fluorophenyl)-3-methylpentan-2-one (PubChem CID 116594933) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 5-amino-1-(2-fluorophenyl)-3-methylpentan-2-one.

Molecular Properties

Compound Name5-amino-1-(2-fluorophenyl)-3-methylpentan-2-one
PubChem CID116594933
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name5-amino-1-(2-fluorophenyl)-3-methylpentan-2-one
SMILESCC(CCN)C(=O)Cc1ccccc1F
InChIInChI=1S/C12H16FNO/c1-9(6-7-14)12(15)8-10-4-2-3-5-11(10)13/h2-5,9H,6-8,14H2,1H3
InChIKeyROCNAHKFSJCFMY-UHFFFAOYSA-N
XLogP1.92
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-amino-1-(2-fluorophenyl)-3-methylpentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-1-(2,4-difluorophenyl)-3-methylpentan-2-one
CID 116594975
N-(4-aminobutan-2-yl)-2-(2-fluorophenyl)acetamide
CID 62093310
3-(aminomethyl)-1-(2-fluorophenyl)hexan-2-one
CID 116574562
5-amino-1-(4-chlorophenyl)-3-methylpentan-2-one
CID 116594757
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
4-amino-N-[1-(2,6-difluorophenyl)ethyl]-2-methylbutanamide
CID 80542883
N-[(2S)-1-aminopropan-2-yl]-2-(2-fluorophenyl)acetamide;hydrochloride
CID 120506125
N-(3-aminopropyl)-4-(2-fluorophenyl)-2-methylbutanamide;hydrochloride
CID 119405746
3-(2-fluorophenyl)-2-methylpropanethioic S-acid
CID 139753124
4-amino-3-methyl-1-(2-methylphenyl)butan-2-one
CID 116564539
4-[(2-fluorophenyl)methylamino]-2-methylbutanoic acid
CID 115220769
N-(3-amino-2-methylpropyl)-2-(2-fluorophenyl)acetamide
CID 62666475

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-fluorophenyl)-3-methylpentan-2-one?
The IUPAC name of 5-amino-1-(2-fluorophenyl)-3-methylpentan-2-one (CID 116594933) is 5-amino-1-(2-fluorophenyl)-3-methylpentan-2-one.
What is the SMILES notation for 5-amino-1-(2-fluorophenyl)-3-methylpentan-2-one?
The canonical SMILES for 5-amino-1-(2-fluorophenyl)-3-methylpentan-2-one is CC(CCN)C(=O)Cc1ccccc1F.
What is the InChIKey of 5-amino-1-(2-fluorophenyl)-3-methylpentan-2-one?
The InChIKey is ROCNAHKFSJCFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-9(6-7-14)12(15)8-10-4-2-3-5-11(10)13/h2-5,9H,6-8,14H2,1H3.
What are the key properties of 5-amino-1-(2-fluorophenyl)-3-methylpentan-2-one?
5-amino-1-(2-fluorophenyl)-3-methylpentan-2-one has a molecular weight of 209.26 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-fluorophenyl)-3-methylpentan-2-one is sourced from PubChem (CID 116594933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).