[1-[[4-(difluoromethyl)phenyl]methylamino]cyclohexyl]methanol

C15H21F2NO — CID 115523953

IUPAC[1-[[4-(difluoromethyl)phenyl]methylamino]cyclohexyl]methanol
SMILESOCC1(NCc2ccc(C(F)F)cc2)CCCCC1
InChIInChI=1S/C15H21F2NO/c16-14(17)13-6-4-12(5-7-13)10-18-15(11-19)8-2-1-3-9-15/h4-7,14,18-19H,1-3,8-11H2
InChIKeyFGXAEERKCVPQEM-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.41
Rot. Bonds5

About [1-[[4-(difluoromethyl)phenyl]methylamino]cyclohexyl]methanol

[1-[[4-(difluoromethyl)phenyl]methylamino]cyclohexyl]methanol (PubChem CID 115523953) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is [1-[[4-(difluoromethyl)phenyl]methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[4-(difluoromethyl)phenyl]methylamino]cyclohexyl]methanol
PubChem CID115523953
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name[1-[[4-(difluoromethyl)phenyl]methylamino]cyclohexyl]methanol
SMILESOCC1(NCc2ccc(C(F)F)cc2)CCCCC1
InChIInChI=1S/C15H21F2NO/c16-14(17)13-6-4-12(5-7-13)10-18-15(11-19)8-2-1-3-9-15/h4-7,14,18-19H,1-3,8-11H2
InChIKeyFGXAEERKCVPQEM-UHFFFAOYSA-N
XLogP3.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 62521694
[1-[(4-butoxyphenyl)methylamino]cyclohexyl]methanol
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[1-[(3-fluoro-4-methylphenyl)methylamino]cyclopentyl]methanol
CID 63645721
[1-(pyrimidin-4-ylmethylamino)cyclohexyl]methanol
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[1-[(1-methylpyrrol-3-yl)methylamino]cyclohexyl]methanol
CID 66400249
[1-[(4-pyrazol-1-ylphenyl)methylamino]cyclopentyl]methanol
CID 62524143
[1-[(3,4-dimethylphenyl)methylamino]cyclobutyl]methanol
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[1-[(2-fluorophenyl)methylamino]cyclohexyl]methanol
CID 55082363
[1-[(2,6-dichlorophenyl)methylamino]cyclohexyl]methanol
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[1-[(1-methylpyrrol-3-yl)methylamino]cyclopentyl]methanol
CID 66400247

Frequently Asked Questions

What is the IUPAC name of [1-[[4-(difluoromethyl)phenyl]methylamino]cyclohexyl]methanol?
The IUPAC name of [1-[[4-(difluoromethyl)phenyl]methylamino]cyclohexyl]methanol (CID 115523953) is [1-[[4-(difluoromethyl)phenyl]methylamino]cyclohexyl]methanol.
What is the SMILES notation for [1-[[4-(difluoromethyl)phenyl]methylamino]cyclohexyl]methanol?
The canonical SMILES for [1-[[4-(difluoromethyl)phenyl]methylamino]cyclohexyl]methanol is OCC1(NCc2ccc(C(F)F)cc2)CCCCC1.
What is the InChIKey of [1-[[4-(difluoromethyl)phenyl]methylamino]cyclohexyl]methanol?
The InChIKey is FGXAEERKCVPQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c16-14(17)13-6-4-12(5-7-13)10-18-15(11-19)8-2-1-3-9-15/h4-7,14,18-19H,1-3,8-11H2.
What are the key properties of [1-[[4-(difluoromethyl)phenyl]methylamino]cyclohexyl]methanol?
[1-[[4-(difluoromethyl)phenyl]methylamino]cyclohexyl]methanol has a molecular weight of 269.33 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(difluoromethyl)phenyl]methylamino]cyclohexyl]methanol is sourced from PubChem (CID 115523953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).