4-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]-3-fluorophenol

C15H22FNO — CID 107715312

IUPAC4-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]-3-fluorophenol
SMILESCC(N[C@H](C)C1CCCC1)c1ccc(O)cc1F
InChIInChI=1S/C15H22FNO/c1-10(12-5-3-4-6-12)17-11(2)14-8-7-13(18)9-15(14)16/h7-12,17-18H,3-6H2,1-2H3/t10-,11?/m1/s1
InChIKeyUXXBLWVSLDKZSX-NFJWQWPMSA-N
MW251.34 g/mol
LogP3.76
Rot. Bonds4

About 4-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]-3-fluorophenol

4-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]-3-fluorophenol (PubChem CID 107715312) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 4-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]-3-fluorophenol.

Molecular Properties

Compound Name4-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]-3-fluorophenol
PubChem CID107715312
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name4-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]-3-fluorophenol
SMILESCC(N[C@H](C)C1CCCC1)c1ccc(O)cc1F
InChIInChI=1S/C15H22FNO/c1-10(12-5-3-4-6-12)17-11(2)14-8-7-13(18)9-15(14)16/h7-12,17-18H,3-6H2,1-2H3/t10-,11?/m1/s1
InChIKeyUXXBLWVSLDKZSX-NFJWQWPMSA-N
XLogP3.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]-3-fluorophenol 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

2-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]benzene-1,4-diol
CID 81394389
(1R)-1-cycloheptyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]ethanamine
CID 81391387
4-[1-[[cyclopropyl(phenyl)methyl]amino]ethyl]-3-fluorophenol
CID 107714853
4-[1-(1-cyclohexylethylamino)ethyl]phenol
CID 62405535
3-fluoro-4-[1-[(3-methylcyclohexyl)amino]ethyl]phenol
CID 107714719
(1R)-1-cyclopentyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]ethanamine
CID 81396255
3-fluoro-4-[1-[(3-methylcyclobutyl)amino]ethyl]phenol
CID 107715430
3-fluoro-4-[1-(thian-3-ylamino)ethyl]phenol
CID 107715457
5-[1-[[(1S)-1-cycloheptylethyl]amino]ethyl]benzene-1,3-diol
CID 107706929
5-[1-(1-cyclohexylethylamino)ethyl]benzene-1,3-diol
CID 107706461
(1S)-1-cycloheptyl-N-[1-(2,3,4-trichlorophenyl)ethyl]ethanamine
CID 81391570
4-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]-3-fluorophenol
CID 107715286

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]-3-fluorophenol?
The IUPAC name of 4-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]-3-fluorophenol (CID 107715312) is 4-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]-3-fluorophenol.
What is the SMILES notation for 4-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]-3-fluorophenol?
The canonical SMILES for 4-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]-3-fluorophenol is CC(N[C@H](C)C1CCCC1)c1ccc(O)cc1F.
What is the InChIKey of 4-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]-3-fluorophenol?
The InChIKey is UXXBLWVSLDKZSX-NFJWQWPMSA-N. The full InChI is InChI=1S/C15H22FNO/c1-10(12-5-3-4-6-12)17-11(2)14-8-7-13(18)9-15(14)16/h7-12,17-18H,3-6H2,1-2H3/t10-,11?/m1/s1.
What are the key properties of 4-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]-3-fluorophenol?
4-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]-3-fluorophenol has a molecular weight of 251.34 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]-3-fluorophenol is sourced from PubChem (CID 107715312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).