2-[cyclopropyl(2,2-difluoroethyl)amino]-1-phenylethanol

C13H17F2NO — CID 111107133

IUPAC2-[cyclopropyl(2,2-difluoroethyl)amino]-1-phenylethanol
SMILESOC(CN(CC(F)F)C1CC1)c1ccccc1
InChIInChI=1S/C13H17F2NO/c14-13(15)9-16(11-6-7-11)8-12(17)10-4-2-1-3-5-10/h1-5,11-13,17H,6-9H2
InChIKeyBDGXXJHDOCBMSJ-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.45
Rot. Bonds6

About 2-[cyclopropyl(2,2-difluoroethyl)amino]-1-phenylethanol

2-[cyclopropyl(2,2-difluoroethyl)amino]-1-phenylethanol (PubChem CID 111107133) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 2-[cyclopropyl(2,2-difluoroethyl)amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[cyclopropyl(2,2-difluoroethyl)amino]-1-phenylethanol
PubChem CID111107133
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name2-[cyclopropyl(2,2-difluoroethyl)amino]-1-phenylethanol
SMILESOC(CN(CC(F)F)C1CC1)c1ccccc1
InChIInChI=1S/C13H17F2NO/c14-13(15)9-16(11-6-7-11)8-12(17)10-4-2-1-3-5-10/h1-5,11-13,17H,6-9H2
InChIKeyBDGXXJHDOCBMSJ-UHFFFAOYSA-N
XLogP2.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanoic acid
CID 60886672
2-[butyl(cyclopropyl)amino]-1-phenylethanol
CID 60751435
3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanenitrile
CID 55135554
2-[cyclopropyl(2,2-difluoroethyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 111107126
2-[cyclopentyl-(2-hydroxy-2-phenylethyl)amino]acetamide
CID 47284555
2-(dicyclohexylamino)-1-phenylethanol
CID 10946557
2-[cyclopropyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1-phenylethanol
CID 75496967
(1S)-2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]-1-phenylethanol
CID 100859470
(1S)-2-[methyl-[(1S,3R)-3-methylsulfanylcyclopentyl]amino]-1-phenylethanol
CID 100859471
1-[4-(aminomethyl)phenyl]-2-[cyclopropyl(2-methylpropyl)amino]ethanol
CID 55002007
2-[cyclopropyl(prop-2-enyl)amino]-1-(4-fluorophenyl)ethanol
CID 71999867
(1R)-2-[benzyl(cyclohexyl)amino]-1-(4-chlorophenyl)ethanol
CID 92858666

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2,2-difluoroethyl)amino]-1-phenylethanol?
The IUPAC name of 2-[cyclopropyl(2,2-difluoroethyl)amino]-1-phenylethanol (CID 111107133) is 2-[cyclopropyl(2,2-difluoroethyl)amino]-1-phenylethanol.
What is the SMILES notation for 2-[cyclopropyl(2,2-difluoroethyl)amino]-1-phenylethanol?
The canonical SMILES for 2-[cyclopropyl(2,2-difluoroethyl)amino]-1-phenylethanol is OC(CN(CC(F)F)C1CC1)c1ccccc1.
What is the InChIKey of 2-[cyclopropyl(2,2-difluoroethyl)amino]-1-phenylethanol?
The InChIKey is BDGXXJHDOCBMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c14-13(15)9-16(11-6-7-11)8-12(17)10-4-2-1-3-5-10/h1-5,11-13,17H,6-9H2.
What are the key properties of 2-[cyclopropyl(2,2-difluoroethyl)amino]-1-phenylethanol?
2-[cyclopropyl(2,2-difluoroethyl)amino]-1-phenylethanol has a molecular weight of 241.28 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2,2-difluoroethyl)amino]-1-phenylethanol is sourced from PubChem (CID 111107133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).