2-[[(1S)-1-cyclopentylethyl]amino]-1-(3,4-difluorophenyl)ethanol

C15H21F2NO — CID 81396113

IUPAC2-[[(1S)-1-cyclopentylethyl]amino]-1-(3,4-difluorophenyl)ethanol
SMILESC[C@H](NCC(O)c1ccc(F)c(F)c1)C1CCCC1
InChIInChI=1S/C15H21F2NO/c1-10(11-4-2-3-5-11)18-9-15(19)12-6-7-13(16)14(17)8-12/h6-8,10-11,15,18-19H,2-5,9H2,1H3/t10-,15?/m0/s1
InChIKeyYOFGVVOJMKQETF-MYHCZTBNSA-N
MW269.33 g/mol
LogP3.17
Rot. Bonds5

About 2-[[(1S)-1-cyclopentylethyl]amino]-1-(3,4-difluorophenyl)ethanol

2-[[(1S)-1-cyclopentylethyl]amino]-1-(3,4-difluorophenyl)ethanol (PubChem CID 81396113) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-[[(1S)-1-cyclopentylethyl]amino]-1-(3,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-[[(1S)-1-cyclopentylethyl]amino]-1-(3,4-difluorophenyl)ethanol
PubChem CID81396113
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name2-[[(1S)-1-cyclopentylethyl]amino]-1-(3,4-difluorophenyl)ethanol
SMILESC[C@H](NCC(O)c1ccc(F)c(F)c1)C1CCCC1
InChIInChI=1S/C15H21F2NO/c1-10(11-4-2-3-5-11)18-9-15(19)12-6-7-13(16)14(17)8-12/h6-8,10-11,15,18-19H,2-5,9H2,1H3/t10-,15?/m0/s1
InChIKeyYOFGVVOJMKQETF-MYHCZTBNSA-N
XLogP3.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-cyclobutylethylamino)-1-(3,4-difluorophenyl)ethanol
CID 113260051
1-(3,4-difluorophenyl)-2-[1-(oxan-4-yl)ethylamino]ethanol
CID 103776795
2-[[(1S)-1-cyclopentylethyl]amino]-1-(4-fluorophenyl)ethanol
CID 81396302
2-(1-cyclohexylpropylamino)-1-(3,4-difluorophenyl)ethanol
CID 62406830
2-[[(1R)-1-cyclopentylethyl]amino]-1-(3-fluorophenyl)ethanol
CID 81396373
1-(3,4-difluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]ethanol
CID 54938804
2-[[(1S)-1-cyclopentylethyl]amino]-1-naphthalen-2-ylethanol
CID 81390203
1-(4-chlorophenyl)-2-(1-cyclopropylethylamino)ethanol
CID 60909738
2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol
CID 81386513
1-(3-bromophenyl)-2-[[(1R)-1-cycloheptylethyl]amino]ethanol
CID 81393437
(1S)-2-(cycloheptylmethylamino)-1-(3,4-difluorophenyl)ethanol
CID 95972210
(R)-cyclohexyl-(3,4-difluorophenyl)methanol
CID 93184618

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-cyclopentylethyl]amino]-1-(3,4-difluorophenyl)ethanol?
The IUPAC name of 2-[[(1S)-1-cyclopentylethyl]amino]-1-(3,4-difluorophenyl)ethanol (CID 81396113) is 2-[[(1S)-1-cyclopentylethyl]amino]-1-(3,4-difluorophenyl)ethanol.
What is the SMILES notation for 2-[[(1S)-1-cyclopentylethyl]amino]-1-(3,4-difluorophenyl)ethanol?
The canonical SMILES for 2-[[(1S)-1-cyclopentylethyl]amino]-1-(3,4-difluorophenyl)ethanol is C[C@H](NCC(O)c1ccc(F)c(F)c1)C1CCCC1.
What is the InChIKey of 2-[[(1S)-1-cyclopentylethyl]amino]-1-(3,4-difluorophenyl)ethanol?
The InChIKey is YOFGVVOJMKQETF-MYHCZTBNSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-10(11-4-2-3-5-11)18-9-15(19)12-6-7-13(16)14(17)8-12/h6-8,10-11,15,18-19H,2-5,9H2,1H3/t10-,15?/m0/s1.
What are the key properties of 2-[[(1S)-1-cyclopentylethyl]amino]-1-(3,4-difluorophenyl)ethanol?
2-[[(1S)-1-cyclopentylethyl]amino]-1-(3,4-difluorophenyl)ethanol has a molecular weight of 269.33 g/mol, XLogP of 3.17, 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-(3,4-difluorophenyl)ethanol is sourced from PubChem (CID 81396113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).