2-(cyclohexylamino)-2-[2-(difluoromethoxy)phenyl]propan-1-ol

C16H23F2NO2 — CID 61045823

IUPAC2-(cyclohexylamino)-2-[2-(difluoromethoxy)phenyl]propan-1-ol
SMILESCC(CO)(NC1CCCCC1)c1ccccc1OC(F)F
InChIInChI=1S/C16H23F2NO2/c1-16(11-20,19-12-7-3-2-4-8-12)13-9-5-6-10-14(13)21-15(17)18/h5-6,9-10,12,15,19-20H,2-4,7-8,11H2,1H3
InChIKeyXBJJKTWJTHCWSV-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.42
Rot. Bonds6

About 2-(cyclohexylamino)-2-[2-(difluoromethoxy)phenyl]propan-1-ol

2-(cyclohexylamino)-2-[2-(difluoromethoxy)phenyl]propan-1-ol (PubChem CID 61045823) has the molecular formula C16H23F2NO2 and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-(cyclohexylamino)-2-[2-(difluoromethoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-(cyclohexylamino)-2-[2-(difluoromethoxy)phenyl]propan-1-ol
PubChem CID61045823
Molecular FormulaC16H23F2NO2
Molecular Weight299.36 g/mol
Exact Mass299.17
IUPAC Name2-(cyclohexylamino)-2-[2-(difluoromethoxy)phenyl]propan-1-ol
SMILESCC(CO)(NC1CCCCC1)c1ccccc1OC(F)F
InChIInChI=1S/C16H23F2NO2/c1-16(11-20,19-12-7-3-2-4-8-12)13-9-5-6-10-14(13)21-15(17)18/h5-6,9-10,12,15,19-20H,2-4,7-8,11H2,1H3
InChIKeyXBJJKTWJTHCWSV-UHFFFAOYSA-N
XLogP3.42
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexylamino)-2-phenylpropan-1-ol
CID 61045452
2-(cyclopentylamino)-2-phenylpropan-1-ol
CID 61053942
2-(cycloheptylamino)-2-(2,4-difluorophenyl)propan-1-ol
CID 61056358
2-(cyclopentylamino)-2-[2-(difluoromethoxy)phenyl]ethanol
CID 61053945
2-(cyclohexylamino)-2-(3-fluorophenyl)propan-1-ol
CID 61047305
2-(cyclohexylamino)-2-(4-propan-2-ylphenyl)propan-1-ol
CID 61047114
N-[cyclohexyl-[2-(difluoromethoxy)phenyl]methyl]ethanamine
CID 114981698
2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propan-1-ol
CID 61046929
2-(cyclohexylamino)-2-(3-methylphenyl)propan-1-ol
CID 61310488
2-(2-ethoxyphenyl)-2-(propylamino)propan-1-ol
CID 61056385
2-(2-tert-butylphenoxy)-1-cyclohexyl-N-methylethanamine
CID 104748352
N-(1-cyclohexylethyl)-2-(difluoromethoxy)aniline
CID 43766730

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-2-[2-(difluoromethoxy)phenyl]propan-1-ol?
The IUPAC name of 2-(cyclohexylamino)-2-[2-(difluoromethoxy)phenyl]propan-1-ol (CID 61045823) is 2-(cyclohexylamino)-2-[2-(difluoromethoxy)phenyl]propan-1-ol.
What is the SMILES notation for 2-(cyclohexylamino)-2-[2-(difluoromethoxy)phenyl]propan-1-ol?
The canonical SMILES for 2-(cyclohexylamino)-2-[2-(difluoromethoxy)phenyl]propan-1-ol is CC(CO)(NC1CCCCC1)c1ccccc1OC(F)F.
What is the InChIKey of 2-(cyclohexylamino)-2-[2-(difluoromethoxy)phenyl]propan-1-ol?
The InChIKey is XBJJKTWJTHCWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO2/c1-16(11-20,19-12-7-3-2-4-8-12)13-9-5-6-10-14(13)21-15(17)18/h5-6,9-10,12,15,19-20H,2-4,7-8,11H2,1H3.
What are the key properties of 2-(cyclohexylamino)-2-[2-(difluoromethoxy)phenyl]propan-1-ol?
2-(cyclohexylamino)-2-[2-(difluoromethoxy)phenyl]propan-1-ol has a molecular weight of 299.36 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-2-[2-(difluoromethoxy)phenyl]propan-1-ol is sourced from PubChem (CID 61045823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).