2-(1-aminocyclohexyl)-5-methoxy-3,6-dimethylphenol

C15H23NO2 — CID 117377331

IUPAC2-(1-aminocyclohexyl)-5-methoxy-3,6-dimethylphenol
SMILESCOc1cc(C)c(C2(N)CCCCC2)c(O)c1C
InChIInChI=1S/C15H23NO2/c1-10-9-12(18-3)11(2)14(17)13(10)15(16)7-5-4-6-8-15/h9,17H,4-8,16H2,1-3H3
InChIKeyJOVHLGAEDNKBSE-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.14
Rot. Bonds2

About 2-(1-aminocyclohexyl)-5-methoxy-3,6-dimethylphenol

2-(1-aminocyclohexyl)-5-methoxy-3,6-dimethylphenol (PubChem CID 117377331) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-5-methoxy-3,6-dimethylphenol.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-5-methoxy-3,6-dimethylphenol
PubChem CID117377331
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(1-aminocyclohexyl)-5-methoxy-3,6-dimethylphenol
SMILESCOc1cc(C)c(C2(N)CCCCC2)c(O)c1C
InChIInChI=1S/C15H23NO2/c1-10-9-12(18-3)11(2)14(17)13(10)15(16)7-5-4-6-8-15/h9,17H,4-8,16H2,1-3H3
InChIKeyJOVHLGAEDNKBSE-UHFFFAOYSA-N
XLogP3.14
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminocyclopropyl)-5-methoxy-3,6-dimethylphenol
CID 84779621
2-(1-aminocyclopentyl)-3,5,6-trimethylphenol
CID 117112800
1-(3,4-dimethoxy-2,6-dimethylphenyl)cyclohexan-1-amine
CID 117413656
2-(1-aminocyclohexyl)-3-chloro-6-methoxy-4-methylphenol
CID 117427699
2-(1-aminocyclopropyl)-6-methoxy-3,4-dimethylphenol
CID 117296163
4-(1-aminocyclohexyl)-2,3,5-trimethylphenol
CID 117114620
1-(3-methoxy-4,5-dimethylphenyl)cyclohexan-1-amine
CID 117339192
2-(1-aminocyclobutyl)-4-bromo-6-methoxy-3-methylphenol
CID 117461200
4-(1-aminocyclohexyl)-3-bromo-2-methoxy-5-methylphenol
CID 117499856
1-(3-chloro-4-methoxy-2,6-dimethylphenyl)cyclopropan-1-amine
CID 84790598
1-(2-chloro-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine
CID 117427606
1-(2-bromo-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine
CID 117499521

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-5-methoxy-3,6-dimethylphenol?
The IUPAC name of 2-(1-aminocyclohexyl)-5-methoxy-3,6-dimethylphenol (CID 117377331) is 2-(1-aminocyclohexyl)-5-methoxy-3,6-dimethylphenol.
What is the SMILES notation for 2-(1-aminocyclohexyl)-5-methoxy-3,6-dimethylphenol?
The canonical SMILES for 2-(1-aminocyclohexyl)-5-methoxy-3,6-dimethylphenol is COc1cc(C)c(C2(N)CCCCC2)c(O)c1C.
What is the InChIKey of 2-(1-aminocyclohexyl)-5-methoxy-3,6-dimethylphenol?
The InChIKey is JOVHLGAEDNKBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10-9-12(18-3)11(2)14(17)13(10)15(16)7-5-4-6-8-15/h9,17H,4-8,16H2,1-3H3.
What are the key properties of 2-(1-aminocyclohexyl)-5-methoxy-3,6-dimethylphenol?
2-(1-aminocyclohexyl)-5-methoxy-3,6-dimethylphenol has a molecular weight of 249.35 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-5-methoxy-3,6-dimethylphenol is sourced from PubChem (CID 117377331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).