[1-[(5-fluoro-2-methylphenyl)methylamino]-4-methylcyclohexyl]methanol

C16H24FNO — CID 115968330

IUPAC[1-[(5-fluoro-2-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
SMILESCc1ccc(F)cc1CNC1(CO)CCC(C)CC1
InChIInChI=1S/C16H24FNO/c1-12-5-7-16(11-19,8-6-12)18-10-14-9-15(17)4-3-13(14)2/h3-4,9,12,18-19H,5-8,10-11H2,1-2H3
InChIKeyKSKKZULHJHKXEK-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.16
Rot. Bonds4

About [1-[(5-fluoro-2-methylphenyl)methylamino]-4-methylcyclohexyl]methanol

[1-[(5-fluoro-2-methylphenyl)methylamino]-4-methylcyclohexyl]methanol (PubChem CID 115968330) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is [1-[(5-fluoro-2-methylphenyl)methylamino]-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(5-fluoro-2-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
PubChem CID115968330
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name[1-[(5-fluoro-2-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
SMILESCc1ccc(F)cc1CNC1(CO)CCC(C)CC1
InChIInChI=1S/C16H24FNO/c1-12-5-7-16(11-19,8-6-12)18-10-14-9-15(17)4-3-13(14)2/h3-4,9,12,18-19H,5-8,10-11H2,1-2H3
InChIKeyKSKKZULHJHKXEK-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-2-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 55087122
[4-methyl-1-[(2,4,5-trimethylphenyl)methylamino]cyclohexyl]methanol
CID 62552810
[1-[(4-fluoro-3-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 62553502
[1-[(3-bromo-5-fluorophenyl)methylamino]-4-methylcyclohexyl]methanol
CID 79710411
[1-[(2-bromo-4-fluorophenyl)methylamino]-3-methylcyclohexyl]methanol
CID 62553023
N-[(5-fluoro-2-methylphenyl)methyl]-1-methylcyclopentan-1-amine
CID 115968076
[1-[(3,5-dimethylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 62553320
[1-[(5-chloro-2-methoxyphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 62552157
2-(3,4-dimethylphenyl)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]acetamide
CID 62538809
[4-methyl-1-[(2-propan-2-yloxyphenyl)methylamino]cyclohexyl]methanol
CID 62551272
2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone
CID 105373389
2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]-4-methoxyphenol
CID 62526041

Frequently Asked Questions

What is the IUPAC name of [1-[(5-fluoro-2-methylphenyl)methylamino]-4-methylcyclohexyl]methanol?
The IUPAC name of [1-[(5-fluoro-2-methylphenyl)methylamino]-4-methylcyclohexyl]methanol (CID 115968330) is [1-[(5-fluoro-2-methylphenyl)methylamino]-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[(5-fluoro-2-methylphenyl)methylamino]-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-[(5-fluoro-2-methylphenyl)methylamino]-4-methylcyclohexyl]methanol is Cc1ccc(F)cc1CNC1(CO)CCC(C)CC1.
What is the InChIKey of [1-[(5-fluoro-2-methylphenyl)methylamino]-4-methylcyclohexyl]methanol?
The InChIKey is KSKKZULHJHKXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-12-5-7-16(11-19,8-6-12)18-10-14-9-15(17)4-3-13(14)2/h3-4,9,12,18-19H,5-8,10-11H2,1-2H3.
What are the key properties of [1-[(5-fluoro-2-methylphenyl)methylamino]-4-methylcyclohexyl]methanol?
[1-[(5-fluoro-2-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-[(5-fluoro-2-methylphenyl)methylamino]-4-methylcyclohexyl]methanol is sourced from PubChem (CID 115968330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).