[1-(2,4-dimethoxy-3,6-dimethylphenyl)cyclohexyl]methanamine

C17H27NO2 — CID 117444906

IUPAC[1-(2,4-dimethoxy-3,6-dimethylphenyl)cyclohexyl]methanamine
SMILESCOc1cc(C)c(C2(CN)CCCCC2)c(OC)c1C
InChIInChI=1S/C17H27NO2/c1-12-10-14(19-3)13(2)16(20-4)15(12)17(11-18)8-6-5-7-9-17/h10H,5-9,11,18H2,1-4H3
InChIKeyKYLXYETUKAHQJL-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.48
Rot. Bonds4

About [1-(2,4-dimethoxy-3,6-dimethylphenyl)cyclohexyl]methanamine

[1-(2,4-dimethoxy-3,6-dimethylphenyl)cyclohexyl]methanamine (PubChem CID 117444906) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is [1-(2,4-dimethoxy-3,6-dimethylphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2,4-dimethoxy-3,6-dimethylphenyl)cyclohexyl]methanamine
PubChem CID117444906
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name[1-(2,4-dimethoxy-3,6-dimethylphenyl)cyclohexyl]methanamine
SMILESCOc1cc(C)c(C2(CN)CCCCC2)c(OC)c1C
InChIInChI=1S/C17H27NO2/c1-12-10-14(19-3)13(2)16(20-4)15(12)17(11-18)8-6-5-7-9-17/h10H,5-9,11,18H2,1-4H3
InChIKeyKYLXYETUKAHQJL-UHFFFAOYSA-N
XLogP3.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,3-dimethoxy-5,6-dimethylphenyl)cyclohexyl]methanamine
CID 117444899
[1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentyl]methanamine
CID 117456529
[1-(3-bromo-2-methoxy-4,6-dimethylphenyl)cyclopentyl]methanamine
CID 117497426
[1-(3-chloro-2-methoxy-4,6-dimethylphenyl)cyclopentyl]methanamine
CID 117423426
[1-(2-bromo-5,6-dimethoxy-3-methylphenyl)cyclobutyl]methanamine
CID 117499500
[1-(3-bromo-2-methoxy-5,6-dimethylphenyl)cyclopentyl]methanamine
CID 117497539
[1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine
CID 117417809
[1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclobutyl]methanamine
CID 117377054
[1-(6-bromo-3-methoxy-2,4-dimethylphenyl)cyclopentyl]methanamine
CID 117497424
[1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]methanamine
CID 116963562
[1-(3-fluoro-2-methoxy-6-methylphenyl)cyclopentyl]methanamine
CID 117347431
[1-(2-fluoro-6-methoxy-3-methylphenyl)cyclohexyl]methanamine
CID 117382107

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dimethoxy-3,6-dimethylphenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(2,4-dimethoxy-3,6-dimethylphenyl)cyclohexyl]methanamine (CID 117444906) is [1-(2,4-dimethoxy-3,6-dimethylphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(2,4-dimethoxy-3,6-dimethylphenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(2,4-dimethoxy-3,6-dimethylphenyl)cyclohexyl]methanamine is COc1cc(C)c(C2(CN)CCCCC2)c(OC)c1C.
What is the InChIKey of [1-(2,4-dimethoxy-3,6-dimethylphenyl)cyclohexyl]methanamine?
The InChIKey is KYLXYETUKAHQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12-10-14(19-3)13(2)16(20-4)15(12)17(11-18)8-6-5-7-9-17/h10H,5-9,11,18H2,1-4H3.
What are the key properties of [1-(2,4-dimethoxy-3,6-dimethylphenyl)cyclohexyl]methanamine?
[1-(2,4-dimethoxy-3,6-dimethylphenyl)cyclohexyl]methanamine has a molecular weight of 277.41 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dimethoxy-3,6-dimethylphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 117444906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).