2-(2-methoxy-4,5-dimethylphenyl)-2-(3-methylcyclohexyl)ethanamine

C18H29NO — CID 83974856

IUPAC2-(2-methoxy-4,5-dimethylphenyl)-2-(3-methylcyclohexyl)ethanamine
SMILESCOc1cc(C)c(C)cc1C(CN)C1CCCC(C)C1
InChIInChI=1S/C18H29NO/c1-12-6-5-7-15(8-12)17(11-19)16-9-13(2)14(3)10-18(16)20-4/h9-10,12,15,17H,5-8,11,19H2,1-4H3
InChIKeyPDRRWYVEMJUZHO-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.18
Rot. Bonds4

About 2-(2-methoxy-4,5-dimethylphenyl)-2-(3-methylcyclohexyl)ethanamine

2-(2-methoxy-4,5-dimethylphenyl)-2-(3-methylcyclohexyl)ethanamine (PubChem CID 83974856) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(2-methoxy-4,5-dimethylphenyl)-2-(3-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(2-methoxy-4,5-dimethylphenyl)-2-(3-methylcyclohexyl)ethanamine
PubChem CID83974856
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-(2-methoxy-4,5-dimethylphenyl)-2-(3-methylcyclohexyl)ethanamine
SMILESCOc1cc(C)c(C)cc1C(CN)C1CCCC(C)C1
InChIInChI=1S/C18H29NO/c1-12-6-5-7-15(8-12)17(11-19)16-9-13(2)14(3)10-18(16)20-4/h9-10,12,15,17H,5-8,11,19H2,1-4H3
InChIKeyPDRRWYVEMJUZHO-UHFFFAOYSA-N
XLogP4.18
TPSA35.25 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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethoxy-2-methylphenyl)-2-(3-methylcyclohexyl)ethanamine
CID 83974266
2-(5-chloro-4-methoxy-2-methylphenyl)-2-cyclopentylethanamine
CID 82304977
2-cyclobutyl-2-(4-methoxy-3-methylphenyl)ethanamine
CID 82024046
1-(2-bromo-1-cyclopropylethyl)-2-methoxy-4,5-dimethylbenzene
CID 82094018
2-cyclopropyl-2-(2,4,5-trimethylphenyl)ethanamine
CID 82282694
2-(3-chloro-4-ethoxyphenyl)-2-(3-methylcyclohexyl)ethanamine
CID 83973503
2-cyclopentyl-2-(2-methoxy-4,5-dimethylphenyl)acetic acid
CID 82485629
(2,5-dimethoxyphenyl)-(3-methylcyclohexyl)methanamine
CID 55120876
4,5-dimethoxy-2-methyl-N-(3-methylcyclohexyl)aniline
CID 43716735
1-(4-methoxy-3-methylphenyl)-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 62133166
(5-fluoro-2-methoxyphenyl)-(3-methylcyclohexyl)methanamine
CID 82769188
2-(1,2-dimethylindol-3-yl)-2-(3-methylcyclohexyl)ethanamine
CID 83976727

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4,5-dimethylphenyl)-2-(3-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(2-methoxy-4,5-dimethylphenyl)-2-(3-methylcyclohexyl)ethanamine (CID 83974856) is 2-(2-methoxy-4,5-dimethylphenyl)-2-(3-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(2-methoxy-4,5-dimethylphenyl)-2-(3-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(2-methoxy-4,5-dimethylphenyl)-2-(3-methylcyclohexyl)ethanamine is COc1cc(C)c(C)cc1C(CN)C1CCCC(C)C1.
What is the InChIKey of 2-(2-methoxy-4,5-dimethylphenyl)-2-(3-methylcyclohexyl)ethanamine?
The InChIKey is PDRRWYVEMJUZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-12-6-5-7-15(8-12)17(11-19)16-9-13(2)14(3)10-18(16)20-4/h9-10,12,15,17H,5-8,11,19H2,1-4H3.
What are the key properties of 2-(2-methoxy-4,5-dimethylphenyl)-2-(3-methylcyclohexyl)ethanamine?
2-(2-methoxy-4,5-dimethylphenyl)-2-(3-methylcyclohexyl)ethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4,5-dimethylphenyl)-2-(3-methylcyclohexyl)ethanamine is sourced from PubChem (CID 83974856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).