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

C16H22FNO2 — CID 62619727

IUPAC3-[cyclopentyl(2-hydroxyethyl)amino]-1-(3-fluorophenyl)propan-1-one
SMILESO=C(CCN(CCO)C1CCCC1)c1cccc(F)c1
InChIInChI=1S/C16H22FNO2/c17-14-5-3-4-13(12-14)16(20)8-9-18(10-11-19)15-6-1-2-7-15/h3-5,12,15,19H,1-2,6-11H2
InChIKeyLASACEBZXCQCSZ-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.64
Rot. Bonds7

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

3-[cyclopentyl(2-hydroxyethyl)amino]-1-(3-fluorophenyl)propan-1-one (PubChem CID 62619727) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 3-[cyclopentyl(2-hydroxyethyl)amino]-1-(3-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-[cyclopentyl(2-hydroxyethyl)amino]-1-(3-fluorophenyl)propan-1-one
PubChem CID62619727
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name3-[cyclopentyl(2-hydroxyethyl)amino]-1-(3-fluorophenyl)propan-1-one
SMILESO=C(CCN(CCO)C1CCCC1)c1cccc(F)c1
InChIInChI=1S/C16H22FNO2/c17-14-5-3-4-13(12-14)16(20)8-9-18(10-11-19)15-6-1-2-7-15/h3-5,12,15,19H,1-2,6-11H2
InChIKeyLASACEBZXCQCSZ-UHFFFAOYSA-N
XLogP2.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[cyclopentyl(2-hydroxyethyl)amino]-1-(3-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

4-[cyclopentyl(2-hydroxyethyl)amino]-1-phenylbutan-1-one
CID 62034933
1-(3-fluorophenyl)-3-[methyl-(3-methylcyclohexyl)amino]propan-1-one
CID 62618349
3-[cyclohexyl(2-hydroxyethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 62613172
3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 55099387
2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 62036284
1-(3-fluorophenyl)-2-[methyl-(4-methylcyclohexyl)amino]ethanone
CID 60681563
2-[cyclopropyl(3-methylbutyl)amino]-1-(3-fluorophenyl)ethanone
CID 78974150
3-[cyclopropylmethyl(propyl)amino]-1-(3-fluorophenyl)propan-1-one
CID 62618352
2-[cyclopropyl-[3-(3-fluorophenyl)propyl]amino]ethanol
CID 110008170
3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]benzamide
CID 62016224
1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 62643375
3-[cyclobutyl(3-hydroxypropyl)amino]-1-(4-methylphenyl)propan-1-one
CID 102848375

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(2-hydroxyethyl)amino]-1-(3-fluorophenyl)propan-1-one?
The IUPAC name of 3-[cyclopentyl(2-hydroxyethyl)amino]-1-(3-fluorophenyl)propan-1-one (CID 62619727) is 3-[cyclopentyl(2-hydroxyethyl)amino]-1-(3-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-[cyclopentyl(2-hydroxyethyl)amino]-1-(3-fluorophenyl)propan-1-one?
The canonical SMILES for 3-[cyclopentyl(2-hydroxyethyl)amino]-1-(3-fluorophenyl)propan-1-one is O=C(CCN(CCO)C1CCCC1)c1cccc(F)c1.
What is the InChIKey of 3-[cyclopentyl(2-hydroxyethyl)amino]-1-(3-fluorophenyl)propan-1-one?
The InChIKey is LASACEBZXCQCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c17-14-5-3-4-13(12-14)16(20)8-9-18(10-11-19)15-6-1-2-7-15/h3-5,12,15,19H,1-2,6-11H2.
What are the key properties of 3-[cyclopentyl(2-hydroxyethyl)amino]-1-(3-fluorophenyl)propan-1-one?
3-[cyclopentyl(2-hydroxyethyl)amino]-1-(3-fluorophenyl)propan-1-one has a molecular weight of 279.35 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(2-hydroxyethyl)amino]-1-(3-fluorophenyl)propan-1-one is sourced from PubChem (CID 62619727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).