1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine

C19H31NO — CID 65391424

IUPAC1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(C)ccc1OC)C1CCC(C)(C)CC1
InChIInChI=1S/C19H31NO/c1-14-6-7-18(21-5)16(12-14)13-17(20-4)15-8-10-19(2,3)11-9-15/h6-7,12,15,17,20H,8-11,13H2,1-5H3
InChIKeyUQWFZYARPRQXQY-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.35
Rot. Bonds5

About 1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine

1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine (PubChem CID 65391424) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
PubChem CID65391424
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(C)ccc1OC)C1CCC(C)(C)CC1
InChIInChI=1S/C19H31NO/c1-14-6-7-18(21-5)16(12-14)13-17(20-4)15-8-10-19(2,3)11-9-15/h6-7,12,15,17,20H,8-11,13H2,1-5H3
InChIKeyUQWFZYARPRQXQY-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 64986574
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 80610569
1-(4,4-dimethylcyclohexyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 104794042
2-(2-methoxy-5-methylphenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine
CID 107188088
1-(4,4-difluorocyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 105083584
N-[1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 64984134
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 80603088
1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 107004230
1-cyclopentyl-2-(2-methoxy-4-methylphenoxy)-N-methylethanamine
CID 104748636
1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 65391197
N-ethyl-2-(2-methoxy-5-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 115826696
1-cyclobutyl-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 62539513

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine (CID 65391424) is 1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine is CNC(Cc1cc(C)ccc1OC)C1CCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine?
The InChIKey is UQWFZYARPRQXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-14-6-7-18(21-5)16(12-14)13-17(20-4)15-8-10-19(2,3)11-9-15/h6-7,12,15,17,20H,8-11,13H2,1-5H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine?
1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 65391424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).