1-(3-fluorophenyl)-2-methyl-3-(methylamino)propan-1-one

C11H14FNO — CID 116586938

IUPAC1-(3-fluorophenyl)-2-methyl-3-(methylamino)propan-1-one
SMILESCNCC(C)C(=O)c1cccc(F)c1
InChIInChI=1S/C11H14FNO/c1-8(7-13-2)11(14)9-4-3-5-10(12)6-9/h3-6,8,13H,7H2,1-2H3
InChIKeyDGCQNLBWHOJBKM-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.86
Rot. Bonds4

About 1-(3-fluorophenyl)-2-methyl-3-(methylamino)propan-1-one

1-(3-fluorophenyl)-2-methyl-3-(methylamino)propan-1-one (PubChem CID 116586938) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-methyl-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-methyl-3-(methylamino)propan-1-one
PubChem CID116586938
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name1-(3-fluorophenyl)-2-methyl-3-(methylamino)propan-1-one
SMILESCNCC(C)C(=O)c1cccc(F)c1
InChIInChI=1S/C11H14FNO/c1-8(7-13-2)11(14)9-4-3-5-10(12)6-9/h3-6,8,13H,7H2,1-2H3
InChIKeyDGCQNLBWHOJBKM-UHFFFAOYSA-N
XLogP1.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-fluorophenyl)-2-methyl-3-(methylamino)propan-1-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

4-(3-fluorophenyl)-3-methyl-N-[2-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 120832487
(3R)-4-(3-fluorophenyl)-3-methyl-4-oxobutanenitrile
CID 94173994
2-(ethylamino)-1-(3-fluorophenyl)propan-1-one
CID 91696120
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 81365967
2-[[4-(3-fluorophenyl)-3-methyl-4-oxobutanoyl]amino]acetic acid
CID 119350223
(3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide
CID 95904870
N-[(2R)-2-(ethylamino)propyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide
CID 120654075
3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65031989
1-(3-fluorophenyl)-2,2-dihydroxyethanone
CID 55282672
N-(2-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide;hydrochloride
CID 119626886
1-(5-fluoro-2-methoxyphenyl)-2-methyl-3-(methylamino)propan-1-one
CID 116586971
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-fluorophenyl)-3-methyl-4-oxobutanamide
CID 119525803

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-methyl-3-(methylamino)propan-1-one?
The IUPAC name of 1-(3-fluorophenyl)-2-methyl-3-(methylamino)propan-1-one (CID 116586938) is 1-(3-fluorophenyl)-2-methyl-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-(3-fluorophenyl)-2-methyl-3-(methylamino)propan-1-one?
The canonical SMILES for 1-(3-fluorophenyl)-2-methyl-3-(methylamino)propan-1-one is CNCC(C)C(=O)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-methyl-3-(methylamino)propan-1-one?
The InChIKey is DGCQNLBWHOJBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-8(7-13-2)11(14)9-4-3-5-10(12)6-9/h3-6,8,13H,7H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-2-methyl-3-(methylamino)propan-1-one?
1-(3-fluorophenyl)-2-methyl-3-(methylamino)propan-1-one has a molecular weight of 195.24 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-methyl-3-(methylamino)propan-1-one is sourced from PubChem (CID 116586938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).