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

C13H17F2NO — CID 110897810

IUPAC2-[cyclopropyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol
SMILESCCN(CC(O)c1ccc(F)cc1F)C1CC1
InChIInChI=1S/C13H17F2NO/c1-2-16(10-4-5-10)8-13(17)11-6-3-9(14)7-12(11)15/h3,6-7,10,13,17H,2,4-5,8H2,1H3
InChIKeySVJRDLVWQIXIJZ-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.48
Rot. Bonds5

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

2-[cyclopropyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol (PubChem CID 110897810) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 2-[cyclopropyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-[cyclopropyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol
PubChem CID110897810
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name2-[cyclopropyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol
SMILESCCN(CC(O)c1ccc(F)cc1F)C1CC1
InChIInChI=1S/C13H17F2NO/c1-2-16(10-4-5-10)8-13(17)11-6-3-9(14)7-12(11)15/h3,6-7,10,13,17H,2,4-5,8H2,1H3
InChIKeySVJRDLVWQIXIJZ-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-[cyclopropyl(2,2-difluoroethyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 111107126
2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 111114276
2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 111118143
2-[cyclopropyl(ethyl)amino]-1-(2,6-difluorophenyl)ethanol
CID 110897812
4-[cyclopropyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]butan-1-ol
CID 111565156
2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 110897757
2-[cyclopentyl(ethyl)amino]-1-(3,4-difluorophenyl)ethanol
CID 110898003
3-[cyclopropyl(ethyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 112679918
2-[cyclohexyl(methyl)amino]-1-(2,5-difluorophenyl)ethanol
CID 82217055
4-N-[1-(2,4-difluorophenyl)ethyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79115999
1-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 61087910
1-(2,4-difluorophenyl)-3-(dimethylamino)propan-1-ol
CID 83810140

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol?
The IUPAC name of 2-[cyclopropyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol (CID 110897810) is 2-[cyclopropyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol.
What is the SMILES notation for 2-[cyclopropyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol?
The canonical SMILES for 2-[cyclopropyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol is CCN(CC(O)c1ccc(F)cc1F)C1CC1.
What is the InChIKey of 2-[cyclopropyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol?
The InChIKey is SVJRDLVWQIXIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-2-16(10-4-5-10)8-13(17)11-6-3-9(14)7-12(11)15/h3,6-7,10,13,17H,2,4-5,8H2,1H3.
What are the key properties of 2-[cyclopropyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol?
2-[cyclopropyl(ethyl)amino]-1-(2,4-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-(2,4-difluorophenyl)ethanol is sourced from PubChem (CID 110897810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).