2-[cyclopentyl(ethyl)amino]-1-(3,4-difluorophenyl)ethanol

C15H21F2NO — CID 110898003

IUPAC2-[cyclopentyl(ethyl)amino]-1-(3,4-difluorophenyl)ethanol
SMILESCCN(CC(O)c1ccc(F)c(F)c1)C1CCCC1
InChIInChI=1S/C15H21F2NO/c1-2-18(12-5-3-4-6-12)10-15(19)11-7-8-13(16)14(17)9-11/h7-9,12,15,19H,2-6,10H2,1H3
InChIKeyRODIDVGIYMGOBF-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.26
Rot. Bonds5

About 2-[cyclopentyl(ethyl)amino]-1-(3,4-difluorophenyl)ethanol

2-[cyclopentyl(ethyl)amino]-1-(3,4-difluorophenyl)ethanol (PubChem CID 110898003) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-[cyclopentyl(ethyl)amino]-1-(3,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-[cyclopentyl(ethyl)amino]-1-(3,4-difluorophenyl)ethanol
PubChem CID110898003
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name2-[cyclopentyl(ethyl)amino]-1-(3,4-difluorophenyl)ethanol
SMILESCCN(CC(O)c1ccc(F)c(F)c1)C1CCCC1
InChIInChI=1S/C15H21F2NO/c1-2-18(12-5-3-4-6-12)10-15(19)11-7-8-13(16)14(17)9-11/h7-9,12,15,19H,2-6,10H2,1H3
InChIKeyRODIDVGIYMGOBF-UHFFFAOYSA-N
XLogP3.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopentyl-1-(3,4-difluorophenyl)-N'-ethylethane-1,2-diamine
CID 107519650
2-[cyclopentyl-[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]acetamide
CID 110899482
(1S)-2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-1-(3,4-difluorophenyl)ethanol
CID 97187069
2-[cyclopropyl(ethyl)amino]-1-(2,6-difluorophenyl)ethanol
CID 110897812
1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanol
CID 110885623
1-[4-[cyclopentyl(ethyl)amino]-3-fluorophenyl]ethanol
CID 43541379
2-[cyclopropyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 110897810
N'-cycloheptyl-1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine
CID 107519801
(1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol
CID 159931966
(1R)-1-(3,4-difluorophenyl)propan-1-ol
CID 58995112
1-[cyclopentyl(ethyl)amino]butan-2-ol
CID 60886562
2-[bis(2-methylpropyl)amino]-1-(3,4-difluorophenyl)ethanol
CID 82217067

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(ethyl)amino]-1-(3,4-difluorophenyl)ethanol?
The IUPAC name of 2-[cyclopentyl(ethyl)amino]-1-(3,4-difluorophenyl)ethanol (CID 110898003) is 2-[cyclopentyl(ethyl)amino]-1-(3,4-difluorophenyl)ethanol.
What is the SMILES notation for 2-[cyclopentyl(ethyl)amino]-1-(3,4-difluorophenyl)ethanol?
The canonical SMILES for 2-[cyclopentyl(ethyl)amino]-1-(3,4-difluorophenyl)ethanol is CCN(CC(O)c1ccc(F)c(F)c1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(ethyl)amino]-1-(3,4-difluorophenyl)ethanol?
The InChIKey is RODIDVGIYMGOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-2-18(12-5-3-4-6-12)10-15(19)11-7-8-13(16)14(17)9-11/h7-9,12,15,19H,2-6,10H2,1H3.
What are the key properties of 2-[cyclopentyl(ethyl)amino]-1-(3,4-difluorophenyl)ethanol?
2-[cyclopentyl(ethyl)amino]-1-(3,4-difluorophenyl)ethanol has a molecular weight of 269.33 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(ethyl)amino]-1-(3,4-difluorophenyl)ethanol is sourced from PubChem (CID 110898003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).