3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol

C17H27NO2 — CID 111467497

IUPAC3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCOc1c(C)cc(CNCC2CCCC(O)C2)cc1C
InChIInChI=1S/C17H27NO2/c1-12-7-15(8-13(2)17(12)20-3)11-18-10-14-5-4-6-16(19)9-14/h7-8,14,16,18-19H,4-6,9-11H2,1-3H3
InChIKeyFQNJRMXLDBWSEV-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.95
Rot. Bonds5

About 3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol

3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 111467497) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID111467497
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCOc1c(C)cc(CNCC2CCCC(O)C2)cc1C
InChIInChI=1S/C17H27NO2/c1-12-7-15(8-13(2)17(12)20-3)11-18-10-14-5-4-6-16(19)9-14/h7-8,14,16,18-19H,4-6,9-11H2,1-3H3
InChIKeyFQNJRMXLDBWSEV-UHFFFAOYSA-N
XLogP2.95
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

1-cyclopropyl-N-[(4-methoxy-3,5-dimethylphenyl)methyl]methanamine;hydrochloride
CID 115592095
3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699898
3-[[[4-(methoxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 103699801
1-cyclobutyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]methanamine
CID 43775196
3-[[(3-bromo-4,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270665
3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270774
N-[(3,5-dimethylphenyl)methyl]-1-[3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methanamine
CID 46231501
3-[[(2,4-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699981
3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103828009
3-[[(4-iodophenyl)methylamino]methyl]cyclohexan-1-ol
CID 106132031
3-[[(4-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699808
3-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699915

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol (CID 111467497) is 3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol is COc1c(C)cc(CNCC2CCCC(O)C2)cc1C.
What is the InChIKey of 3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is FQNJRMXLDBWSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12-7-15(8-13(2)17(12)20-3)11-18-10-14-5-4-6-16(19)9-14/h7-8,14,16,18-19H,4-6,9-11H2,1-3H3.
What are the key properties of 3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol?
3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 111467497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).