2-(cyclohexylamino)-1-(4-fluoro-3-methylphenyl)propan-1-ol

C16H24FNO — CID 82315043

IUPAC2-(cyclohexylamino)-1-(4-fluoro-3-methylphenyl)propan-1-ol
SMILESCc1cc(C(O)C(C)NC2CCCCC2)ccc1F
InChIInChI=1S/C16H24FNO/c1-11-10-13(8-9-15(11)17)16(19)12(2)18-14-6-4-3-5-7-14/h8-10,12,14,16,18-19H,3-7H2,1-2H3
InChIKeyGIQBYBNILGFGJT-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.48
Rot. Bonds4

About 2-(cyclohexylamino)-1-(4-fluoro-3-methylphenyl)propan-1-ol

2-(cyclohexylamino)-1-(4-fluoro-3-methylphenyl)propan-1-ol (PubChem CID 82315043) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 2-(cyclohexylamino)-1-(4-fluoro-3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(cyclohexylamino)-1-(4-fluoro-3-methylphenyl)propan-1-ol
PubChem CID82315043
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name2-(cyclohexylamino)-1-(4-fluoro-3-methylphenyl)propan-1-ol
SMILESCc1cc(C(O)C(C)NC2CCCCC2)ccc1F
InChIInChI=1S/C16H24FNO/c1-11-10-13(8-9-15(11)17)16(19)12(2)18-14-6-4-3-5-7-14/h8-10,12,14,16,18-19H,3-7H2,1-2H3
InChIKeyGIQBYBNILGFGJT-UHFFFAOYSA-N
XLogP3.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylamino)-1-(3,4-difluorophenyl)propan-1-ol
CID 82316270
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
cyclopentyl-(4-fluoro-3-methylphenyl)methanol
CID 60929105
2-(cyclopentylamino)-2-(4-fluoro-3-methylphenyl)acetonitrile
CID 62119933
(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
2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 82314361
2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanol
CID 55095037
2-(cyclohexylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol
CID 70554945

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-1-(4-fluoro-3-methylphenyl)propan-1-ol?
The IUPAC name of 2-(cyclohexylamino)-1-(4-fluoro-3-methylphenyl)propan-1-ol (CID 82315043) is 2-(cyclohexylamino)-1-(4-fluoro-3-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(cyclohexylamino)-1-(4-fluoro-3-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(cyclohexylamino)-1-(4-fluoro-3-methylphenyl)propan-1-ol is Cc1cc(C(O)C(C)NC2CCCCC2)ccc1F.
What is the InChIKey of 2-(cyclohexylamino)-1-(4-fluoro-3-methylphenyl)propan-1-ol?
The InChIKey is GIQBYBNILGFGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-11-10-13(8-9-15(11)17)16(19)12(2)18-14-6-4-3-5-7-14/h8-10,12,14,16,18-19H,3-7H2,1-2H3.
What are the key properties of 2-(cyclohexylamino)-1-(4-fluoro-3-methylphenyl)propan-1-ol?
2-(cyclohexylamino)-1-(4-fluoro-3-methylphenyl)propan-1-ol has a molecular weight of 265.37 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-1-(4-fluoro-3-methylphenyl)propan-1-ol is sourced from PubChem (CID 82315043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).