2-(4-ethoxy-2-methylphenyl)-2-(3-methylcyclohexyl)ethanamine

C18H29NO — CID 83974266

IUPAC2-(4-ethoxy-2-methylphenyl)-2-(3-methylcyclohexyl)ethanamine
SMILESCCOc1ccc(C(CN)C2CCCC(C)C2)c(C)c1
InChIInChI=1S/C18H29NO/c1-4-20-16-8-9-17(14(3)11-16)18(12-19)15-7-5-6-13(2)10-15/h8-9,11,13,15,18H,4-7,10,12,19H2,1-3H3
InChIKeyFJMLBTCHSGHKOE-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.26
Rot. Bonds5

About 2-(4-ethoxy-2-methylphenyl)-2-(3-methylcyclohexyl)ethanamine

2-(4-ethoxy-2-methylphenyl)-2-(3-methylcyclohexyl)ethanamine (PubChem CID 83974266) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(4-ethoxy-2-methylphenyl)-2-(3-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(4-ethoxy-2-methylphenyl)-2-(3-methylcyclohexyl)ethanamine
PubChem CID83974266
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-(4-ethoxy-2-methylphenyl)-2-(3-methylcyclohexyl)ethanamine
SMILESCCOc1ccc(C(CN)C2CCCC(C)C2)c(C)c1
InChIInChI=1S/C18H29NO/c1-4-20-16-8-9-17(14(3)11-16)18(12-19)15-7-5-6-13(2)10-15/h8-9,11,13,15,18H,4-7,10,12,19H2,1-3H3
InChIKeyFJMLBTCHSGHKOE-UHFFFAOYSA-N
XLogP4.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethoxy-2-methylphenyl)-2-(2-methylcyclohexyl)ethanamine
CID 83974256
2-(4-ethoxy-2-methylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine
CID 83974261
2-(2-methoxy-4,5-dimethylphenyl)-2-(3-methylcyclohexyl)ethanamine
CID 83974856
N-[(4-methoxy-2-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 65313720
2-(3-chloro-4-ethoxyphenyl)-2-(3-methylcyclohexyl)ethanamine
CID 83973503
2-(4-chloro-2-methylphenyl)-2-cyclopentylethanamine
CID 83824559
2-cyclopentyl-2-(3-ethoxyphenyl)ethanamine
CID 83973259
4-ethoxy-2-methyl-N-(3-methylcyclopentyl)aniline
CID 64500477
N-[(4-bromo-2-methylphenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 104992020
2-[2-(4-ethoxy-2-methylphenyl)butyl]-3-methyloxirane
CID 83936677
[(4-ethoxyphenyl)-(3-methylcyclopentyl)methyl]hydrazine
CID 105233127
2-cyclohexyl-2-(2-ethoxy-5-methylphenyl)ethanamine
CID 83974493

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2-methylphenyl)-2-(3-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(4-ethoxy-2-methylphenyl)-2-(3-methylcyclohexyl)ethanamine (CID 83974266) is 2-(4-ethoxy-2-methylphenyl)-2-(3-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(4-ethoxy-2-methylphenyl)-2-(3-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(4-ethoxy-2-methylphenyl)-2-(3-methylcyclohexyl)ethanamine is CCOc1ccc(C(CN)C2CCCC(C)C2)c(C)c1.
What is the InChIKey of 2-(4-ethoxy-2-methylphenyl)-2-(3-methylcyclohexyl)ethanamine?
The InChIKey is FJMLBTCHSGHKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-20-16-8-9-17(14(3)11-16)18(12-19)15-7-5-6-13(2)10-15/h8-9,11,13,15,18H,4-7,10,12,19H2,1-3H3.
What are the key properties of 2-(4-ethoxy-2-methylphenyl)-2-(3-methylcyclohexyl)ethanamine?
2-(4-ethoxy-2-methylphenyl)-2-(3-methylcyclohexyl)ethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2-methylphenyl)-2-(3-methylcyclohexyl)ethanamine is sourced from PubChem (CID 83974266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).