1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-3-methylcyclohexan-1-ol

C16H23F2NO2 — CID 63934756

IUPAC1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNCc2ccc(OC(F)F)cc2)C1
InChIInChI=1S/C16H23F2NO2/c1-12-3-2-8-16(20,9-12)11-19-10-13-4-6-14(7-5-13)21-15(17)18/h4-7,12,15,19-20H,2-3,8-11H2,1H3
InChIKeyAGRCKJSUGHBILY-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.32
Rot. Bonds6

About 1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-3-methylcyclohexan-1-ol

1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-3-methylcyclohexan-1-ol (PubChem CID 63934756) has the molecular formula C16H23F2NO2 and a molecular weight of 299.36 g/mol. Its IUPAC name is 1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-3-methylcyclohexan-1-ol
PubChem CID63934756
Molecular FormulaC16H23F2NO2
Molecular Weight299.36 g/mol
Exact Mass299.17
IUPAC Name1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNCc2ccc(OC(F)F)cc2)C1
InChIInChI=1S/C16H23F2NO2/c1-12-3-2-8-16(20,9-12)11-19-10-13-4-6-14(7-5-13)21-15(17)18/h4-7,12,15,19-20H,2-3,8-11H2,1H3
InChIKeyAGRCKJSUGHBILY-UHFFFAOYSA-N
XLogP3.32
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-3-methylcyclohexan-1-ol with MolForge

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Related Compounds

3-methyl-1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 63933300
1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63932273
1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-3-methylcyclohexan-1-ol
CID 65121119
1-[[(3-chloro-4-methylphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 106816884
1-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63932489
1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 78912474
1-[(1H-indol-6-ylmethylamino)methyl]-3-methylcyclohexan-1-ol
CID 102911193
1-[[(3-bromo-5-fluorophenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 79709978
methyl 5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carboxylate
CID 65117203
N-[[4-(difluoromethoxy)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine
CID 107412126
3-methyl-1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 63933298
1-[[[4-(2,2-difluoroethoxy)phenyl]methylamino]methyl]cyclopentan-1-ol
CID 111466689

Frequently Asked Questions

What is the IUPAC name of 1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-3-methylcyclohexan-1-ol (CID 63934756) is 1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-3-methylcyclohexan-1-ol is CC1CCCC(O)(CNCc2ccc(OC(F)F)cc2)C1.
What is the InChIKey of 1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-3-methylcyclohexan-1-ol?
The InChIKey is AGRCKJSUGHBILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO2/c1-12-3-2-8-16(20,9-12)11-19-10-13-4-6-14(7-5-13)21-15(17)18/h4-7,12,15,19-20H,2-3,8-11H2,1H3.
What are the key properties of 1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-3-methylcyclohexan-1-ol?
1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-3-methylcyclohexan-1-ol has a molecular weight of 299.36 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 63934756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).