2-[cyclobutyl-[(3,5-difluorophenyl)methyl]amino]ethanol

C13H17F2NO — CID 102676798

IUPAC2-[cyclobutyl-[(3,5-difluorophenyl)methyl]amino]ethanol
SMILESOCCN(Cc1cc(F)cc(F)c1)C1CCC1
InChIInChI=1S/C13H17F2NO/c14-11-6-10(7-12(15)8-11)9-16(4-5-17)13-2-1-3-13/h6-8,13,17H,1-5,9H2
InChIKeyLEXUTOOHUCAZLC-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.31
Rot. Bonds5

About 2-[cyclobutyl-[(3,5-difluorophenyl)methyl]amino]ethanol

2-[cyclobutyl-[(3,5-difluorophenyl)methyl]amino]ethanol (PubChem CID 102676798) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 2-[cyclobutyl-[(3,5-difluorophenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-[(3,5-difluorophenyl)methyl]amino]ethanol
PubChem CID102676798
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name2-[cyclobutyl-[(3,5-difluorophenyl)methyl]amino]ethanol
SMILESOCCN(Cc1cc(F)cc(F)c1)C1CCC1
InChIInChI=1S/C13H17F2NO/c14-11-6-10(7-12(15)8-11)9-16(4-5-17)13-2-1-3-13/h6-8,13,17H,1-5,9H2
InChIKeyLEXUTOOHUCAZLC-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclobutyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 102676667
4-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
CID 102809822
3-[cyclobutyl(2-hydroxyethyl)amino]-1-(3,5-difluorophenyl)propan-1-ol
CID 102871167
N-(2-bromoethyl)-N-[(3-bromo-5-fluorophenyl)methyl]cyclopentanamine
CID 80673045
3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
CID 102679360
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-cyclopentylamino]ethanol
CID 107878292
2-[(2-bromo-4-fluorophenyl)methyl-cyclobutylamino]ethanol
CID 102676936
2-[cyclopentyl(pyridin-4-ylmethyl)amino]ethanol
CID 62014276
2-[cyclobutyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol
CID 102676925
2-[cyclopentyl-[(3,4-dimethylphenyl)methyl]amino]ethanol
CID 62015858
5-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-2-fluorobenzenecarbothioamide
CID 107879297
2-[(2-chloro-4-fluorophenyl)methyl-cyclohexylamino]ethanol
CID 60694126

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-[(3,5-difluorophenyl)methyl]amino]ethanol?
The IUPAC name of 2-[cyclobutyl-[(3,5-difluorophenyl)methyl]amino]ethanol (CID 102676798) is 2-[cyclobutyl-[(3,5-difluorophenyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-[(3,5-difluorophenyl)methyl]amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-[(3,5-difluorophenyl)methyl]amino]ethanol is OCCN(Cc1cc(F)cc(F)c1)C1CCC1.
What is the InChIKey of 2-[cyclobutyl-[(3,5-difluorophenyl)methyl]amino]ethanol?
The InChIKey is LEXUTOOHUCAZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c14-11-6-10(7-12(15)8-11)9-16(4-5-17)13-2-1-3-13/h6-8,13,17H,1-5,9H2.
What are the key properties of 2-[cyclobutyl-[(3,5-difluorophenyl)methyl]amino]ethanol?
2-[cyclobutyl-[(3,5-difluorophenyl)methyl]amino]ethanol has a molecular weight of 241.28 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-[(3,5-difluorophenyl)methyl]amino]ethanol is sourced from PubChem (CID 102676798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).