2-(cyclohexylamino)-1-(3,4-difluorophenyl)propan-1-ol

C15H21F2NO — CID 82316270

IUPAC2-(cyclohexylamino)-1-(3,4-difluorophenyl)propan-1-ol
SMILESCC(NC1CCCCC1)C(O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2NO/c1-10(18-12-5-3-2-4-6-12)15(19)11-7-8-13(16)14(17)9-11/h7-10,12,15,18-19H,2-6H2,1H3
InChIKeyUSFWTHYHJCFDIR-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.31
Rot. Bonds4

About 2-(cyclohexylamino)-1-(3,4-difluorophenyl)propan-1-ol

2-(cyclohexylamino)-1-(3,4-difluorophenyl)propan-1-ol (PubChem CID 82316270) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-(cyclohexylamino)-1-(3,4-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(cyclohexylamino)-1-(3,4-difluorophenyl)propan-1-ol
PubChem CID82316270
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name2-(cyclohexylamino)-1-(3,4-difluorophenyl)propan-1-ol
SMILESCC(NC1CCCCC1)C(O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2NO/c1-10(18-12-5-3-2-4-6-12)15(19)11-7-8-13(16)14(17)9-11/h7-10,12,15,18-19H,2-6H2,1H3
InChIKeyUSFWTHYHJCFDIR-UHFFFAOYSA-N
XLogP3.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylamino)-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 82315043
(1S,2S)-1-(3,4-difluorophenyl)-2-[[(3S)-thian-3-yl]amino]propan-1-ol
CID 99853725
(1R,2S)-1-(3,4-difluorophenyl)-2-[[(3S)-thian-3-yl]amino]propan-1-ol
CID 129446312
N-[1-(3,4-difluorophenyl)ethyl]cycloheptanamine
CID 43081886
2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)propan-1-ol
CID 82312791
(2S)-2-(cyclohexylamino)-1-phenylpropan-1-ol
CID 134503072
(2S)-2-(cycloheptylamino)-1-phenylpropan-1-ol
CID 149151230
(1S,2S)-2-(cyclooctylamino)-1-phenylpropan-1-ol
CID 95510992
2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 82314361
2-(cyclohexylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol
CID 70554945
(S)-cyclohexyl-(3,4-difluorophenyl)methanol
CID 93184621
(R)-cyclohexyl-(3,4-difluorophenyl)methanol
CID 93184618

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-1-(3,4-difluorophenyl)propan-1-ol?
The IUPAC name of 2-(cyclohexylamino)-1-(3,4-difluorophenyl)propan-1-ol (CID 82316270) is 2-(cyclohexylamino)-1-(3,4-difluorophenyl)propan-1-ol.
What is the SMILES notation for 2-(cyclohexylamino)-1-(3,4-difluorophenyl)propan-1-ol?
The canonical SMILES for 2-(cyclohexylamino)-1-(3,4-difluorophenyl)propan-1-ol is CC(NC1CCCCC1)C(O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(cyclohexylamino)-1-(3,4-difluorophenyl)propan-1-ol?
The InChIKey is USFWTHYHJCFDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-10(18-12-5-3-2-4-6-12)15(19)11-7-8-13(16)14(17)9-11/h7-10,12,15,18-19H,2-6H2,1H3.
What are the key properties of 2-(cyclohexylamino)-1-(3,4-difluorophenyl)propan-1-ol?
2-(cyclohexylamino)-1-(3,4-difluorophenyl)propan-1-ol has a molecular weight of 269.33 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-1-(3,4-difluorophenyl)propan-1-ol is sourced from PubChem (CID 82316270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).