[1-[(4-fluoro-3-methylphenyl)methylamino]-4-methylcyclohexyl]methanol

C16H24FNO — CID 62553502

IUPAC[1-[(4-fluoro-3-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
SMILESCc1cc(CNC2(CO)CCC(C)CC2)ccc1F
InChIInChI=1S/C16H24FNO/c1-12-5-7-16(11-19,8-6-12)18-10-14-3-4-15(17)13(2)9-14/h3-4,9,12,18-19H,5-8,10-11H2,1-2H3
InChIKeyJOOYIGAQYQBHCZ-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.16
Rot. Bonds4

About [1-[(4-fluoro-3-methylphenyl)methylamino]-4-methylcyclohexyl]methanol

[1-[(4-fluoro-3-methylphenyl)methylamino]-4-methylcyclohexyl]methanol (PubChem CID 62553502) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is [1-[(4-fluoro-3-methylphenyl)methylamino]-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(4-fluoro-3-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
PubChem CID62553502
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name[1-[(4-fluoro-3-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
SMILESCc1cc(CNC2(CO)CCC(C)CC2)ccc1F
InChIInChI=1S/C16H24FNO/c1-12-5-7-16(11-19,8-6-12)18-10-14-3-4-15(17)13(2)9-14/h3-4,9,12,18-19H,5-8,10-11H2,1-2H3
InChIKeyJOOYIGAQYQBHCZ-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(4-fluoro-3-methylphenyl)methylamino]cyclohexyl]methanol
CID 62521694
[1-[(3,5-dimethylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 62553320
[1-[(3-fluoro-4-methylphenyl)methylamino]cyclopentyl]methanol
CID 63645721
[1-[(5-fluoro-2-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 115968330
[1-[(4-fluoro-2-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 55087122
[1-[(4-cyclopropylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 79984227
[1-[(3-bromo-5-fluorophenyl)methylamino]-4-methylcyclohexyl]methanol
CID 79710411
[1-[(3,4-dimethylphenyl)methylamino]cyclobutyl]methanol
CID 115733318
[4-methyl-1-(pyridin-4-ylmethylamino)cyclohexyl]methanol
CID 62526385
[4-methyl-1-[(2,4,5-trimethylphenyl)methylamino]cyclohexyl]methanol
CID 62552810
[1-(benzylamino)-4-methylcycloheptyl]methanol
CID 65085339
3-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]benzonitrile
CID 62526546

Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluoro-3-methylphenyl)methylamino]-4-methylcyclohexyl]methanol?
The IUPAC name of [1-[(4-fluoro-3-methylphenyl)methylamino]-4-methylcyclohexyl]methanol (CID 62553502) is [1-[(4-fluoro-3-methylphenyl)methylamino]-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[(4-fluoro-3-methylphenyl)methylamino]-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-[(4-fluoro-3-methylphenyl)methylamino]-4-methylcyclohexyl]methanol is Cc1cc(CNC2(CO)CCC(C)CC2)ccc1F.
What is the InChIKey of [1-[(4-fluoro-3-methylphenyl)methylamino]-4-methylcyclohexyl]methanol?
The InChIKey is JOOYIGAQYQBHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-12-5-7-16(11-19,8-6-12)18-10-14-3-4-15(17)13(2)9-14/h3-4,9,12,18-19H,5-8,10-11H2,1-2H3.
What are the key properties of [1-[(4-fluoro-3-methylphenyl)methylamino]-4-methylcyclohexyl]methanol?
[1-[(4-fluoro-3-methylphenyl)methylamino]-4-methylcyclohexyl]methanol has a molecular weight of 265.37 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluoro-3-methylphenyl)methylamino]-4-methylcyclohexyl]methanol is sourced from PubChem (CID 62553502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).