1-(3-methoxy-4,5-dimethylphenyl)cyclohexan-1-amine

C15H23NO — CID 117339192

IUPAC1-(3-methoxy-4,5-dimethylphenyl)cyclohexan-1-amine
SMILESCOc1cc(C2(N)CCCCC2)cc(C)c1C
InChIInChI=1S/C15H23NO/c1-11-9-13(10-14(17-3)12(11)2)15(16)7-5-4-6-8-15/h9-10H,4-8,16H2,1-3H3
InChIKeyPHNUQCZCWBHZLM-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.43
Rot. Bonds2

About 1-(3-methoxy-4,5-dimethylphenyl)cyclohexan-1-amine

1-(3-methoxy-4,5-dimethylphenyl)cyclohexan-1-amine (PubChem CID 117339192) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(3-methoxy-4,5-dimethylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-methoxy-4,5-dimethylphenyl)cyclohexan-1-amine
PubChem CID117339192
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-(3-methoxy-4,5-dimethylphenyl)cyclohexan-1-amine
SMILESCOc1cc(C2(N)CCCCC2)cc(C)c1C
InChIInChI=1S/C15H23NO/c1-11-9-13(10-14(17-3)12(11)2)15(16)7-5-4-6-8-15/h9-10H,4-8,16H2,1-3H3
InChIKeyPHNUQCZCWBHZLM-UHFFFAOYSA-N
XLogP3.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-5-methoxy-4-methylphenyl)cyclohexan-1-amine
CID 117387617
1-(4-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine
CID 117320334
1-(3-methoxy-4-methylphenyl)cycloheptan-1-amine
CID 43146596
1-(4-fluoro-3,5-dimethoxyphenyl)cyclopentan-1-amine
CID 84799752
1-(4-chloro-3-methoxy-5-methylphenyl)cyclopropan-1-amine
CID 84782091
1-(3-bromo-4,5-dimethoxyphenyl)cyclohexan-1-amine
CID 117499870
[1-(3-methoxy-4,5-dimethylphenyl)cyclobutyl]methanamine
CID 117312997
2-(1-aminocyclohexyl)-5-methoxy-3,6-dimethylphenol
CID 117377331
4-(1-aminocyclopentyl)-2,6-dimethylaniline
CID 84778060
1-(4-chloro-3-methoxyphenyl)cyclohexan-1-amine
CID 79700571
1-(3-bromo-4,5-dimethoxyphenyl)cyclopentan-1-amine
CID 117483760
1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclohexan-1-amine
CID 117408749

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4,5-dimethylphenyl)cyclohexan-1-amine?
The IUPAC name of 1-(3-methoxy-4,5-dimethylphenyl)cyclohexan-1-amine (CID 117339192) is 1-(3-methoxy-4,5-dimethylphenyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(3-methoxy-4,5-dimethylphenyl)cyclohexan-1-amine?
The canonical SMILES for 1-(3-methoxy-4,5-dimethylphenyl)cyclohexan-1-amine is COc1cc(C2(N)CCCCC2)cc(C)c1C.
What is the InChIKey of 1-(3-methoxy-4,5-dimethylphenyl)cyclohexan-1-amine?
The InChIKey is PHNUQCZCWBHZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-9-13(10-14(17-3)12(11)2)15(16)7-5-4-6-8-15/h9-10H,4-8,16H2,1-3H3.
What are the key properties of 1-(3-methoxy-4,5-dimethylphenyl)cyclohexan-1-amine?
1-(3-methoxy-4,5-dimethylphenyl)cyclohexan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4,5-dimethylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 117339192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).