2-(1-cyclobutylethylamino)-1-(3,4-difluorophenyl)ethanol

C14H19F2NO — CID 113260051

IUPAC2-(1-cyclobutylethylamino)-1-(3,4-difluorophenyl)ethanol
SMILESCC(NCC(O)c1ccc(F)c(F)c1)C1CCC1
InChIInChI=1S/C14H19F2NO/c1-9(10-3-2-4-10)17-8-14(18)11-5-6-12(15)13(16)7-11/h5-7,9-10,14,17-18H,2-4,8H2,1H3
InChIKeyLNKBOEPYTOXLHN-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.78
Rot. Bonds5

About 2-(1-cyclobutylethylamino)-1-(3,4-difluorophenyl)ethanol

2-(1-cyclobutylethylamino)-1-(3,4-difluorophenyl)ethanol (PubChem CID 113260051) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-(1-cyclobutylethylamino)-1-(3,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-(1-cyclobutylethylamino)-1-(3,4-difluorophenyl)ethanol
PubChem CID113260051
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name2-(1-cyclobutylethylamino)-1-(3,4-difluorophenyl)ethanol
SMILESCC(NCC(O)c1ccc(F)c(F)c1)C1CCC1
InChIInChI=1S/C14H19F2NO/c1-9(10-3-2-4-10)17-8-14(18)11-5-6-12(15)13(16)7-11/h5-7,9-10,14,17-18H,2-4,8H2,1H3
InChIKeyLNKBOEPYTOXLHN-UHFFFAOYSA-N
XLogP2.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(1-cyclobutylethylamino)-1-(3,4-difluorophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(1S)-1-cyclopentylethyl]amino]-1-(3,4-difluorophenyl)ethanol
CID 81396113
1-(3,4-difluorophenyl)-2-[1-(oxan-4-yl)ethylamino]ethanol
CID 103776795
2-[[(1S)-1-cyclopentylethyl]amino]-1-(4-fluorophenyl)ethanol
CID 81396302
1-(3,4-difluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]ethanol
CID 54938804
2-(1-cyclohexylpropylamino)-1-(3,4-difluorophenyl)ethanol
CID 62406830
2-[[(1R)-1-cyclopentylethyl]amino]-1-(3-fluorophenyl)ethanol
CID 81396373
1-(4-chlorophenyl)-2-(1-cyclopropylethylamino)ethanol
CID 60909738
2-[[(1S)-1-cyclopentylethyl]amino]-1-naphthalen-2-ylethanol
CID 81390203
2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol
CID 81386513
1-(3-bromophenyl)-2-[[(1R)-1-cycloheptylethyl]amino]ethanol
CID 81393437
(1S)-2-(cycloheptylmethylamino)-1-(3,4-difluorophenyl)ethanol
CID 95972210
2-(1-cyclopropylethylamino)-1-(3-methylphenyl)ethanol
CID 115894712

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclobutylethylamino)-1-(3,4-difluorophenyl)ethanol?
The IUPAC name of 2-(1-cyclobutylethylamino)-1-(3,4-difluorophenyl)ethanol (CID 113260051) is 2-(1-cyclobutylethylamino)-1-(3,4-difluorophenyl)ethanol.
What is the SMILES notation for 2-(1-cyclobutylethylamino)-1-(3,4-difluorophenyl)ethanol?
The canonical SMILES for 2-(1-cyclobutylethylamino)-1-(3,4-difluorophenyl)ethanol is CC(NCC(O)c1ccc(F)c(F)c1)C1CCC1.
What is the InChIKey of 2-(1-cyclobutylethylamino)-1-(3,4-difluorophenyl)ethanol?
The InChIKey is LNKBOEPYTOXLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-9(10-3-2-4-10)17-8-14(18)11-5-6-12(15)13(16)7-11/h5-7,9-10,14,17-18H,2-4,8H2,1H3.
What are the key properties of 2-(1-cyclobutylethylamino)-1-(3,4-difluorophenyl)ethanol?
2-(1-cyclobutylethylamino)-1-(3,4-difluorophenyl)ethanol has a molecular weight of 255.31 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclobutylethylamino)-1-(3,4-difluorophenyl)ethanol is sourced from PubChem (CID 113260051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).