3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-fluorophenyl)propan-1-one

C14H18FNO2 — CID 55099387

IUPAC3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-fluorophenyl)propan-1-one
SMILESO=C(CCN(CCO)C1CC1)c1ccccc1F
InChIInChI=1S/C14H18FNO2/c15-13-4-2-1-3-12(13)14(18)7-8-16(9-10-17)11-5-6-11/h1-4,11,17H,5-10H2
InChIKeyHAASDVVYJPZFAC-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.86
Rot. Bonds7

About 3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-fluorophenyl)propan-1-one

3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-fluorophenyl)propan-1-one (PubChem CID 55099387) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-fluorophenyl)propan-1-one
PubChem CID55099387
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-fluorophenyl)propan-1-one
SMILESO=C(CCN(CCO)C1CC1)c1ccccc1F
InChIInChI=1S/C14H18FNO2/c15-13-4-2-1-3-12(13)14(18)7-8-16(9-10-17)11-5-6-11/h1-4,11,17H,5-10H2
InChIKeyHAASDVVYJPZFAC-UHFFFAOYSA-N
XLogP1.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-fluorophenyl)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

3-[cyclopropyl(propyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 62619022
3-[cyclopentyl(2-hydroxyethyl)amino]-1-(3-fluorophenyl)propan-1-one
CID 62619727
N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)benzamide
CID 54942691
3-[cyclopropylmethyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 63956709
3-[cyclopropyl-(2-fluorobenzoyl)amino]propanoic acid
CID 54926357
1-(2-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one
CID 62645290
1-(2-fluorophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propan-1-one
CID 113476348
3-[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]propanoic acid
CID 60840730
2-[2-[cyclopropyl(2-hydroxyethyl)amino]ethoxy]benzoic acid
CID 54994962
2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 62036284
1-(2-chlorophenyl)-3-[cyclopentyl(ethyl)amino]propan-1-one
CID 62645176
4-[cyclopentyl(2-hydroxyethyl)amino]-1-phenylbutan-1-one
CID 62034933

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-fluorophenyl)propan-1-one?
The IUPAC name of 3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-fluorophenyl)propan-1-one (CID 55099387) is 3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-fluorophenyl)propan-1-one?
The canonical SMILES for 3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-fluorophenyl)propan-1-one is O=C(CCN(CCO)C1CC1)c1ccccc1F.
What is the InChIKey of 3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-fluorophenyl)propan-1-one?
The InChIKey is HAASDVVYJPZFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-13-4-2-1-3-12(13)14(18)7-8-16(9-10-17)11-5-6-11/h1-4,11,17H,5-10H2.
What are the key properties of 3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-fluorophenyl)propan-1-one?
3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-fluorophenyl)propan-1-one has a molecular weight of 251.30 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-fluorophenyl)propan-1-one is sourced from PubChem (CID 55099387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).