2-[[(1S)-1-cyclopentylethyl]amino]-1-(4-fluorophenyl)ethanol

C15H22FNO — CID 81396302

IUPAC2-[[(1S)-1-cyclopentylethyl]amino]-1-(4-fluorophenyl)ethanol
SMILESC[C@H](NCC(O)c1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C15H22FNO/c1-11(12-4-2-3-5-12)17-10-15(18)13-6-8-14(16)9-7-13/h6-9,11-12,15,17-18H,2-5,10H2,1H3/t11-,15?/m0/s1
InChIKeyDWZBTPWEEDPKDG-VPHXOMNUSA-N
MW251.34 g/mol
LogP3.03
Rot. Bonds5

About 2-[[(1S)-1-cyclopentylethyl]amino]-1-(4-fluorophenyl)ethanol

2-[[(1S)-1-cyclopentylethyl]amino]-1-(4-fluorophenyl)ethanol (PubChem CID 81396302) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-[[(1S)-1-cyclopentylethyl]amino]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[[(1S)-1-cyclopentylethyl]amino]-1-(4-fluorophenyl)ethanol
PubChem CID81396302
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-[[(1S)-1-cyclopentylethyl]amino]-1-(4-fluorophenyl)ethanol
SMILESC[C@H](NCC(O)c1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C15H22FNO/c1-11(12-4-2-3-5-12)17-10-15(18)13-6-8-14(16)9-7-13/h6-9,11-12,15,17-18H,2-5,10H2,1H3/t11-,15?/m0/s1
InChIKeyDWZBTPWEEDPKDG-VPHXOMNUSA-N
XLogP3.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-cyclopentylethyl]amino]-1-(3,4-difluorophenyl)ethanol
CID 81396113
2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol
CID 81386513
2-[[(1R)-1-cyclopentylethyl]amino]-1-(3-fluorophenyl)ethanol
CID 81396373
2-(1-cyclobutylethylamino)-1-(3,4-difluorophenyl)ethanol
CID 113260051
(1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553259
1-(4-chlorophenyl)-2-(1-cyclopropylethylamino)ethanol
CID 60909738
2-[[(1S)-1-cyclopentylethyl]amino]-1-naphthalen-2-ylethanol
CID 81390203
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-(4-fluorophenyl)ethanol
CID 60714622
1-(3-bromophenyl)-2-[[(1R)-1-cycloheptylethyl]amino]ethanol
CID 81393437
1-(1-cyclobutylethyl)-3-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]urea
CID 109499900
1-(3,4-difluorophenyl)-2-[1-(oxan-4-yl)ethylamino]ethanol
CID 103776795
1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]ethanamine
CID 81348448

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-cyclopentylethyl]amino]-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-[[(1S)-1-cyclopentylethyl]amino]-1-(4-fluorophenyl)ethanol (CID 81396302) is 2-[[(1S)-1-cyclopentylethyl]amino]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-[[(1S)-1-cyclopentylethyl]amino]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-[[(1S)-1-cyclopentylethyl]amino]-1-(4-fluorophenyl)ethanol is C[C@H](NCC(O)c1ccc(F)cc1)C1CCCC1.
What is the InChIKey of 2-[[(1S)-1-cyclopentylethyl]amino]-1-(4-fluorophenyl)ethanol?
The InChIKey is DWZBTPWEEDPKDG-VPHXOMNUSA-N. The full InChI is InChI=1S/C15H22FNO/c1-11(12-4-2-3-5-12)17-10-15(18)13-6-8-14(16)9-7-13/h6-9,11-12,15,17-18H,2-5,10H2,1H3/t11-,15?/m0/s1.
What are the key properties of 2-[[(1S)-1-cyclopentylethyl]amino]-1-(4-fluorophenyl)ethanol?
2-[[(1S)-1-cyclopentylethyl]amino]-1-(4-fluorophenyl)ethanol has a molecular weight of 251.34 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-cyclopentylethyl]amino]-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 81396302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).