3-[cyclobutyl(2-hydroxyethyl)amino]-1-(3,5-difluorophenyl)propan-1-ol

C15H21F2NO2 — CID 102871167

IUPAC3-[cyclobutyl(2-hydroxyethyl)amino]-1-(3,5-difluorophenyl)propan-1-ol
SMILESOCCN(CCC(O)c1cc(F)cc(F)c1)C1CCC1
InChIInChI=1S/C15H21F2NO2/c16-12-8-11(9-13(17)10-12)15(20)4-5-18(6-7-19)14-2-1-3-14/h8-10,14-15,19-20H,1-7H2
InChIKeyIECYFBQEWFRUHA-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.24
Rot. Bonds7

About 3-[cyclobutyl(2-hydroxyethyl)amino]-1-(3,5-difluorophenyl)propan-1-ol

3-[cyclobutyl(2-hydroxyethyl)amino]-1-(3,5-difluorophenyl)propan-1-ol (PubChem CID 102871167) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is 3-[cyclobutyl(2-hydroxyethyl)amino]-1-(3,5-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-[cyclobutyl(2-hydroxyethyl)amino]-1-(3,5-difluorophenyl)propan-1-ol
PubChem CID102871167
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name3-[cyclobutyl(2-hydroxyethyl)amino]-1-(3,5-difluorophenyl)propan-1-ol
SMILESOCCN(CCC(O)c1cc(F)cc(F)c1)C1CCC1
InChIInChI=1S/C15H21F2NO2/c16-12-8-11(9-13(17)10-12)15(20)4-5-18(6-7-19)14-2-1-3-14/h8-10,14-15,19-20H,1-7H2
InChIKeyIECYFBQEWFRUHA-UHFFFAOYSA-N
XLogP2.24
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclobutyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol
CID 102870901
1-(4-chlorophenyl)-3-[cyclopentyl(2-hydroxyethyl)amino]propan-1-ol
CID 62629823
1-(3-bromophenyl)-3-[cyclopentyl(2-hydroxyethyl)amino]propan-1-ol
CID 62619701
2-[cyclobutyl-[(3,5-difluorophenyl)methyl]amino]ethanol
CID 102676798
2-[[3-amino-3-(3-fluoro-4-methylphenyl)propyl]-cyclobutylamino]ethanol
CID 102871056
2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 111114276
2-[[3-amino-3-(3,5-dimethylphenyl)propyl]-cyclobutylamino]ethanol
CID 102870932
1-[cyclopentyl(2-hydroxyethyl)amino]-4,4-dimethylpentan-3-ol
CID 62624115
2-[cyclobutyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 102676667
3-[cyclopropyl(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62624580
2-[(2-bromo-4-fluorophenyl)methyl-cyclobutylamino]ethanol
CID 102676936
2-[cyclohexyl(2-hydroxyethyl)amino]ethanol;nickel
CID 88833532

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl(2-hydroxyethyl)amino]-1-(3,5-difluorophenyl)propan-1-ol?
The IUPAC name of 3-[cyclobutyl(2-hydroxyethyl)amino]-1-(3,5-difluorophenyl)propan-1-ol (CID 102871167) is 3-[cyclobutyl(2-hydroxyethyl)amino]-1-(3,5-difluorophenyl)propan-1-ol.
What is the SMILES notation for 3-[cyclobutyl(2-hydroxyethyl)amino]-1-(3,5-difluorophenyl)propan-1-ol?
The canonical SMILES for 3-[cyclobutyl(2-hydroxyethyl)amino]-1-(3,5-difluorophenyl)propan-1-ol is OCCN(CCC(O)c1cc(F)cc(F)c1)C1CCC1.
What is the InChIKey of 3-[cyclobutyl(2-hydroxyethyl)amino]-1-(3,5-difluorophenyl)propan-1-ol?
The InChIKey is IECYFBQEWFRUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c16-12-8-11(9-13(17)10-12)15(20)4-5-18(6-7-19)14-2-1-3-14/h8-10,14-15,19-20H,1-7H2.
What are the key properties of 3-[cyclobutyl(2-hydroxyethyl)amino]-1-(3,5-difluorophenyl)propan-1-ol?
3-[cyclobutyl(2-hydroxyethyl)amino]-1-(3,5-difluorophenyl)propan-1-ol has a molecular weight of 285.33 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl(2-hydroxyethyl)amino]-1-(3,5-difluorophenyl)propan-1-ol is sourced from PubChem (CID 102871167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).