1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine

C18H29NO — CID 106830774

IUPAC1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine
SMILESCNC(c1ccc(C)c(C)c1OC)C1(C)CCCCC1
InChIInChI=1S/C18H29NO/c1-13-9-10-15(16(20-5)14(13)2)17(19-4)18(3)11-7-6-8-12-18/h9-10,17,19H,6-8,11-12H2,1-5H3
InChIKeyRZVJTERHEYYSGU-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.54
Rot. Bonds4

About 1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine

1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine (PubChem CID 106830774) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine
PubChem CID106830774
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine
SMILESCNC(c1ccc(C)c(C)c1OC)C1(C)CCCCC1
InChIInChI=1S/C18H29NO/c1-13-9-10-15(16(20-5)14(13)2)17(19-4)18(3)11-7-6-8-12-18/h9-10,17,19H,6-8,11-12H2,1-5H3
InChIKeyRZVJTERHEYYSGU-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 103433754
[(2-methoxy-3,4-dimethylphenyl)-(1-methylcyclopropyl)methyl]hydrazine
CID 103436070
N-methyl-1-(1-methylcyclohexyl)-1-(2-methylphenyl)methanamine
CID 106829818
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 115852569
1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
CID 103433382
1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106826825
(1-ethoxycyclopentyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433954
1-(2-methoxy-3,4-dimethylphenyl)cycloheptan-1-amine
CID 103432757
[cycloheptyl-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 103435988
1-(4-bromophenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
CID 103433281
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106830046
1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(5-methylpyrimidin-2-yl)methanamine
CID 103433843

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine?
The IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine (CID 106830774) is 1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine.
What is the SMILES notation for 1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine?
The canonical SMILES for 1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine is CNC(c1ccc(C)c(C)c1OC)C1(C)CCCCC1.
What is the InChIKey of 1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine?
The InChIKey is RZVJTERHEYYSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13-9-10-15(16(20-5)14(13)2)17(19-4)18(3)11-7-6-8-12-18/h9-10,17,19H,6-8,11-12H2,1-5H3.
What are the key properties of 1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine?
1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine has a molecular weight of 275.44 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine is sourced from PubChem (CID 106830774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).