1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol

C16H24FNO2 — CID 63932273

IUPAC1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
SMILESCOc1ccc(CNCC2(O)CCCC(C)C2)cc1F
InChIInChI=1S/C16H24FNO2/c1-12-4-3-7-16(19,9-12)11-18-10-13-5-6-15(20-2)14(17)8-13/h5-6,8,12,18-19H,3-4,7,9-11H2,1-2H3
InChIKeyPOLHFDMBVYYWAU-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.87
Rot. Bonds5

About 1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol

1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol (PubChem CID 63932273) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
PubChem CID63932273
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
SMILESCOc1ccc(CNCC2(O)CCCC(C)C2)cc1F
InChIInChI=1S/C16H24FNO2/c1-12-4-3-7-16(19,9-12)11-18-10-13-5-6-15(20-2)14(17)8-13/h5-6,8,12,18-19H,3-4,7,9-11H2,1-2H3
InChIKeyPOLHFDMBVYYWAU-UHFFFAOYSA-N
XLogP2.87
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol with MolForge

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Related Compounds

1-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63932489
4-ethyl-1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 65116509
4-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]oxan-4-ol
CID 78928791
1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-3-methylcyclohexan-1-ol
CID 65121119
3-methyl-1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 63933300
1-[[(3-chloro-4-methylphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 106816884
1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63934756
1-(3-fluoro-4-methoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 55260820
1-[(1H-indol-6-ylmethylamino)methyl]-3-methylcyclohexan-1-ol
CID 102911193
1-[(3-fluoro-4-methoxyphenyl)methyl]cyclobutan-1-ol
CID 79080855
1-[[(3-bromo-5-fluorophenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 79709978
3-cyclopropyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 65154268

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol (CID 63932273) is 1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol is COc1ccc(CNCC2(O)CCCC(C)C2)cc1F.
What is the InChIKey of 1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol?
The InChIKey is POLHFDMBVYYWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-12-4-3-7-16(19,9-12)11-18-10-13-5-6-15(20-2)14(17)8-13/h5-6,8,12,18-19H,3-4,7,9-11H2,1-2H3.
What are the key properties of 1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol?
1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol has a molecular weight of 281.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 63932273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).