1-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol

C15H22FNO2 — CID 104791869

IUPAC1-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCOc1cccc(CNCC2(O)CCCCC2)c1F
InChIInChI=1S/C15H22FNO2/c1-19-13-7-5-6-12(14(13)16)10-17-11-15(18)8-3-2-4-9-15/h5-7,17-18H,2-4,8-11H2,1H3
InChIKeyXUSMKRKBENSHAY-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.62
Rot. Bonds5

About 1-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol

1-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 104791869) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID104791869
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCOc1cccc(CNCC2(O)CCCCC2)c1F
InChIInChI=1S/C15H22FNO2/c1-19-13-7-5-6-12(14(13)16)10-17-11-15(18)8-3-2-4-9-15/h5-7,17-18H,2-4,8-11H2,1H3
InChIKeyXUSMKRKBENSHAY-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 104791871
1-[[(3-ethoxy-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 62866382
1-[[(2,4-dimethoxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 63362793
2-ethoxy-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
CID 63933499
2-fluoro-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
CID 112606953
1-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclopentan-1-ol
CID 63932476
1-[[(2,4,5-trimethoxyphenyl)methylamino]methyl]cyclobutan-1-ol
CID 115621533
1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115525
1-[(2-fluoro-3-methoxyphenyl)methylcarbamoyl]cycloheptane-1-carboxylic acid
CID 146138199
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 104794650
1-[(2-fluoro-3-methoxyphenyl)methylamino]-2-methylpropan-2-ol
CID 104791866
2-bromo-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
CID 63934114

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol (CID 104791869) is 1-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol is COc1cccc(CNCC2(O)CCCCC2)c1F.
What is the InChIKey of 1-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is XUSMKRKBENSHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-19-13-7-5-6-12(14(13)16)10-17-11-15(18)8-3-2-4-9-15/h5-7,17-18H,2-4,8-11H2,1H3.
What are the key properties of 1-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
1-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 267.34 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 104791869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).