2-[cyclopropyl(ethyl)amino]-1-(2,6-difluorophenyl)ethanol

C13H17F2NO — CID 110897812

IUPAC2-[cyclopropyl(ethyl)amino]-1-(2,6-difluorophenyl)ethanol
SMILESCCN(CC(O)c1c(F)cccc1F)C1CC1
InChIInChI=1S/C13H17F2NO/c1-2-16(9-6-7-9)8-12(17)13-10(14)4-3-5-11(13)15/h3-5,9,12,17H,2,6-8H2,1H3
InChIKeyLRXZXLVYZVGSDM-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.48
Rot. Bonds5

About 2-[cyclopropyl(ethyl)amino]-1-(2,6-difluorophenyl)ethanol

2-[cyclopropyl(ethyl)amino]-1-(2,6-difluorophenyl)ethanol (PubChem CID 110897812) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 2-[cyclopropyl(ethyl)amino]-1-(2,6-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-[cyclopropyl(ethyl)amino]-1-(2,6-difluorophenyl)ethanol
PubChem CID110897812
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name2-[cyclopropyl(ethyl)amino]-1-(2,6-difluorophenyl)ethanol
SMILESCCN(CC(O)c1c(F)cccc1F)C1CC1
InChIInChI=1S/C13H17F2NO/c1-2-16(9-6-7-9)8-12(17)13-10(14)4-3-5-11(13)15/h3-5,9,12,17H,2,6-8H2,1H3
InChIKeyLRXZXLVYZVGSDM-UHFFFAOYSA-N
XLogP2.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,6-difluorophenyl)ethanol
CID 111114317
2-[cyclopropyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 110897810
3-[cyclopropyl(ethyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 112679918
(1S)-1-[2-[cyclopropyl(ethyl)amino]-6-fluorophenyl]ethanol
CID 78939475
1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanol
CID 110885623
2-[cyclopentyl(ethyl)amino]-1-(3,4-difluorophenyl)ethanol
CID 110898003
1-(2,6-difluorophenyl)-2-[methyl(2-methylbutyl)amino]ethanol
CID 111113593
(1R)-1-[2-fluoro-6-[methyl-(4-methylcyclohexyl)amino]phenyl]ethanol
CID 63371251
2-(1-aminoethyl)-N-cyclopropyl-N-ethyl-3-fluoroaniline
CID 43264288
1-(2,6-difluorophenyl)-2-[methyl-(2-methylsulfonylcyclohexyl)amino]ethanol
CID 111543944
1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanol
CID 111108552
3-[cyclopropyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol
CID 62619676

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethyl)amino]-1-(2,6-difluorophenyl)ethanol?
The IUPAC name of 2-[cyclopropyl(ethyl)amino]-1-(2,6-difluorophenyl)ethanol (CID 110897812) is 2-[cyclopropyl(ethyl)amino]-1-(2,6-difluorophenyl)ethanol.
What is the SMILES notation for 2-[cyclopropyl(ethyl)amino]-1-(2,6-difluorophenyl)ethanol?
The canonical SMILES for 2-[cyclopropyl(ethyl)amino]-1-(2,6-difluorophenyl)ethanol is CCN(CC(O)c1c(F)cccc1F)C1CC1.
What is the InChIKey of 2-[cyclopropyl(ethyl)amino]-1-(2,6-difluorophenyl)ethanol?
The InChIKey is LRXZXLVYZVGSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-2-16(9-6-7-9)8-12(17)13-10(14)4-3-5-11(13)15/h3-5,9,12,17H,2,6-8H2,1H3.
What are the key properties of 2-[cyclopropyl(ethyl)amino]-1-(2,6-difluorophenyl)ethanol?
2-[cyclopropyl(ethyl)amino]-1-(2,6-difluorophenyl)ethanol has a molecular weight of 241.28 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethyl)amino]-1-(2,6-difluorophenyl)ethanol is sourced from PubChem (CID 110897812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).