[1-[(2,2-difluoro-2-phenylethyl)amino]-3-methylcyclohexyl]methanol

C16H23F2NO — CID 116789037

IUPAC[1-[(2,2-difluoro-2-phenylethyl)amino]-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(NCC(F)(F)c2ccccc2)C1
InChIInChI=1S/C16H23F2NO/c1-13-6-5-9-15(10-13,12-20)19-11-16(17,18)14-7-3-2-4-8-14/h2-4,7-8,13,19-20H,5-6,9-12H2,1H3
InChIKeyUDKOWJMZEPEYLS-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.31
Rot. Bonds5

About [1-[(2,2-difluoro-2-phenylethyl)amino]-3-methylcyclohexyl]methanol

[1-[(2,2-difluoro-2-phenylethyl)amino]-3-methylcyclohexyl]methanol (PubChem CID 116789037) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is [1-[(2,2-difluoro-2-phenylethyl)amino]-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(2,2-difluoro-2-phenylethyl)amino]-3-methylcyclohexyl]methanol
PubChem CID116789037
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name[1-[(2,2-difluoro-2-phenylethyl)amino]-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(NCC(F)(F)c2ccccc2)C1
InChIInChI=1S/C16H23F2NO/c1-13-6-5-9-15(10-13,12-20)19-11-16(17,18)14-7-3-2-4-8-14/h2-4,7-8,13,19-20H,5-6,9-12H2,1H3
InChIKeyUDKOWJMZEPEYLS-UHFFFAOYSA-N
XLogP3.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(2,2-difluoro-2-phenylethyl)amino]cyclopropyl]methanol
CID 116789339
[1-(benzylamino)-4-methylcycloheptyl]methanol
CID 65085339
[1-[(4-tert-butylphenyl)methylamino]-3-methylcyclohexyl]methanol
CID 63476984
[3-methyl-1-(3-phenylpropylamino)cyclohexyl]methanol
CID 55086844
[1-(2,2-dimethylpropylamino)-3-methylcyclohexyl]methanol
CID 62553342
[1-(benzylamino)-3-methylcyclopentyl]methanol
CID 64515748
[3-methyl-1-(3-phenylprop-2-ynylamino)cyclohexyl]methanol
CID 62551147
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methylcyclohexyl]methanol
CID 66418709
[3-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol
CID 62699549
[1-(furan-2-ylmethylamino)-3-methylcyclohexyl]methanol
CID 62553513
[3-methyl-1-[(1-methylindol-3-yl)methylamino]cyclohexyl]methanol
CID 107235623
[3-methyl-1-(2-pyridin-3-ylethylamino)cyclohexyl]methanol
CID 63265044

Frequently Asked Questions

What is the IUPAC name of [1-[(2,2-difluoro-2-phenylethyl)amino]-3-methylcyclohexyl]methanol?
The IUPAC name of [1-[(2,2-difluoro-2-phenylethyl)amino]-3-methylcyclohexyl]methanol (CID 116789037) is [1-[(2,2-difluoro-2-phenylethyl)amino]-3-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[(2,2-difluoro-2-phenylethyl)amino]-3-methylcyclohexyl]methanol?
The canonical SMILES for [1-[(2,2-difluoro-2-phenylethyl)amino]-3-methylcyclohexyl]methanol is CC1CCCC(CO)(NCC(F)(F)c2ccccc2)C1.
What is the InChIKey of [1-[(2,2-difluoro-2-phenylethyl)amino]-3-methylcyclohexyl]methanol?
The InChIKey is UDKOWJMZEPEYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-13-6-5-9-15(10-13,12-20)19-11-16(17,18)14-7-3-2-4-8-14/h2-4,7-8,13,19-20H,5-6,9-12H2,1H3.
What are the key properties of [1-[(2,2-difluoro-2-phenylethyl)amino]-3-methylcyclohexyl]methanol?
[1-[(2,2-difluoro-2-phenylethyl)amino]-3-methylcyclohexyl]methanol has a molecular weight of 283.36 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,2-difluoro-2-phenylethyl)amino]-3-methylcyclohexyl]methanol is sourced from PubChem (CID 116789037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).