1-(3,4-dimethoxy-2,6-dimethylphenyl)cyclohexan-1-amine

C16H25NO2 — CID 117413656

IUPAC1-(3,4-dimethoxy-2,6-dimethylphenyl)cyclohexan-1-amine
SMILESCOc1cc(C)c(C2(N)CCCCC2)c(C)c1OC
InChIInChI=1S/C16H25NO2/c1-11-10-13(18-3)15(19-4)12(2)14(11)16(17)8-6-5-7-9-16/h10H,5-9,17H2,1-4H3
InChIKeyJEKCXJRDAZHIRB-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.44
Rot. Bonds3

About 1-(3,4-dimethoxy-2,6-dimethylphenyl)cyclohexan-1-amine

1-(3,4-dimethoxy-2,6-dimethylphenyl)cyclohexan-1-amine (PubChem CID 117413656) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(3,4-dimethoxy-2,6-dimethylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxy-2,6-dimethylphenyl)cyclohexan-1-amine
PubChem CID117413656
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(3,4-dimethoxy-2,6-dimethylphenyl)cyclohexan-1-amine
SMILESCOc1cc(C)c(C2(N)CCCCC2)c(C)c1OC
InChIInChI=1S/C16H25NO2/c1-11-10-13(18-3)15(19-4)12(2)14(11)16(17)8-6-5-7-9-16/h10H,5-9,17H2,1-4H3
InChIKeyJEKCXJRDAZHIRB-UHFFFAOYSA-N
XLogP3.44
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine
CID 117499472
1-(2-chloro-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine
CID 117427606
2-(1-aminocyclohexyl)-5-methoxy-3,6-dimethylphenol
CID 117377331
1-(2-bromo-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine
CID 117499521
1-(4,5-dimethoxy-2,3-dimethylphenyl)cyclohexan-1-amine
CID 117413644
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)cyclohexan-1-amine
CID 117456401
1-(2,3-dimethoxy-5,6-dimethylphenyl)cyclopropan-1-amine
CID 117316555
1-(2-methoxy-3,4,6-trimethylphenyl)cyclobutan-1-amine
CID 117112931
1-(3-chloro-2-methoxy-5,6-dimethylphenyl)cyclopentan-1-amine
CID 117388025
1-(3-chloro-4-methoxy-2,6-dimethylphenyl)cyclopropan-1-amine
CID 84790598
1-(3,4-dimethoxy-2-methylphenyl)cyclohexan-1-amine
CID 117377333
1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopentan-1-amine
CID 117386100

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxy-2,6-dimethylphenyl)cyclohexan-1-amine?
The IUPAC name of 1-(3,4-dimethoxy-2,6-dimethylphenyl)cyclohexan-1-amine (CID 117413656) is 1-(3,4-dimethoxy-2,6-dimethylphenyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(3,4-dimethoxy-2,6-dimethylphenyl)cyclohexan-1-amine?
The canonical SMILES for 1-(3,4-dimethoxy-2,6-dimethylphenyl)cyclohexan-1-amine is COc1cc(C)c(C2(N)CCCCC2)c(C)c1OC.
What is the InChIKey of 1-(3,4-dimethoxy-2,6-dimethylphenyl)cyclohexan-1-amine?
The InChIKey is JEKCXJRDAZHIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-10-13(18-3)15(19-4)12(2)14(11)16(17)8-6-5-7-9-16/h10H,5-9,17H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxy-2,6-dimethylphenyl)cyclohexan-1-amine?
1-(3,4-dimethoxy-2,6-dimethylphenyl)cyclohexan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxy-2,6-dimethylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 117413656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).