[2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexyl]methanol

C15H22FNO2 — CID 106361157

IUPAC[2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexyl]methanol
SMILESCOc1cccc(CNC2CCCCC2CO)c1F
InChIInChI=1S/C15H22FNO2/c1-19-14-8-4-6-11(15(14)16)9-17-13-7-3-2-5-12(13)10-18/h4,6,8,12-13,17-18H,2-3,5,7,9-10H2,1H3
InChIKeyUAEOAUWSIYPJSP-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.47
Rot. Bonds5

About [2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexyl]methanol

[2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexyl]methanol (PubChem CID 106361157) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is [2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexyl]methanol
PubChem CID106361157
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name[2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexyl]methanol
SMILESCOc1cccc(CNC2CCCCC2CO)c1F
InChIInChI=1S/C15H22FNO2/c1-19-14-8-4-6-11(15(14)16)9-17-13-7-3-2-5-12(13)10-18/h4,6,8,12-13,17-18H,2-3,5,7,9-10H2,1H3
InChIKeyUAEOAUWSIYPJSP-UHFFFAOYSA-N
XLogP2.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 104791760
N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-amine
CID 104792652
N-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 104791697
2-fluoro-N'-hydroxy-3-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]benzenecarboximidamide
CID 106361752
2-[(2-fluoro-3-methoxyphenyl)methyl]-N-propylcycloheptan-1-amine
CID 104792663
1-(2-chlorocyclohexyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]methanamine
CID 113453890
N-cyclopentyloxy-1-(2-fluoro-3-methoxyphenyl)methanamine
CID 113453577
trans-(1S,2R)-2-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine
CID 93046208
N-[2-(hydroxymethyl)cyclohexyl]-2-(2-methoxyphenyl)acetamide
CID 103798304
trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 71414214
N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 104791705
[2-[(2-propan-2-yloxyphenyl)methylamino]cyclopentyl]methanol
CID 103700313

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexyl]methanol?
The IUPAC name of [2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexyl]methanol (CID 106361157) is [2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexyl]methanol is COc1cccc(CNC2CCCCC2CO)c1F.
What is the InChIKey of [2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexyl]methanol?
The InChIKey is UAEOAUWSIYPJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-19-14-8-4-6-11(15(14)16)9-17-13-7-3-2-5-12(13)10-18/h4,6,8,12-13,17-18H,2-3,5,7,9-10H2,1H3.
What are the key properties of [2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexyl]methanol?
[2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexyl]methanol has a molecular weight of 267.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 106361157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).