1-[4-ethyl-2-(2-methoxy-4,6-dimethylphenyl)cyclohexyl]-N-methylmethanamine

C19H31NO — CID 106681630

IUPAC1-[4-ethyl-2-(2-methoxy-4,6-dimethylphenyl)cyclohexyl]-N-methylmethanamine
SMILESCCC1CCC(CNC)C(c2c(C)cc(C)cc2OC)C1
InChIInChI=1S/C19H31NO/c1-6-15-7-8-16(12-20-4)17(11-15)19-14(3)9-13(2)10-18(19)21-5/h9-10,15-17,20H,6-8,11-12H2,1-5H3
InChIKeyXSLVUHPMZXFDSJ-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.44
Rot. Bonds5

About 1-[4-ethyl-2-(2-methoxy-4,6-dimethylphenyl)cyclohexyl]-N-methylmethanamine

1-[4-ethyl-2-(2-methoxy-4,6-dimethylphenyl)cyclohexyl]-N-methylmethanamine (PubChem CID 106681630) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-[4-ethyl-2-(2-methoxy-4,6-dimethylphenyl)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-ethyl-2-(2-methoxy-4,6-dimethylphenyl)cyclohexyl]-N-methylmethanamine
PubChem CID106681630
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-[4-ethyl-2-(2-methoxy-4,6-dimethylphenyl)cyclohexyl]-N-methylmethanamine
SMILESCCC1CCC(CNC)C(c2c(C)cc(C)cc2OC)C1
InChIInChI=1S/C19H31NO/c1-6-15-7-8-16(12-20-4)17(11-15)19-14(3)9-13(2)10-18(19)21-5/h9-10,15-17,20H,6-8,11-12H2,1-5H3
InChIKeyXSLVUHPMZXFDSJ-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]cyclopropanamine
CID 106681605
N-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]propan-2-amine
CID 106681604
1-[2-(3,4-difluorophenyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 81031851
1-[4-ethyl-2-(5-methylthiophen-2-yl)cyclohexyl]-N-methylmethanamine
CID 81032227
1-[4-ethyl-2-[(2-methoxyphenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 81032383
1-[2-(4-ethoxyphenyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 81031773
1-[2-(2-methoxyphenyl)-4-propylcyclohexyl]-N-methylmethanamine
CID 81029380
1-[2-(4-cyclopropyloxyphenyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 114520506
1-[2-(2,6-dimethoxyphenyl)cyclobutyl]-N-methylmethanamine
CID 116811386
1-[4-ethyl-2-(furan-2-yl)cyclohexyl]-N-methylmethanamine
CID 81031398
1-[4-ethyl-2-(methoxymethyl)cyclohexyl]-N-methylmethanamine
CID 81031850
N-methyl-1-[2-(5-methyl-3-pyridinyl)-4-propylcyclohexyl]methanamine
CID 115375691

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-2-(2-methoxy-4,6-dimethylphenyl)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[4-ethyl-2-(2-methoxy-4,6-dimethylphenyl)cyclohexyl]-N-methylmethanamine (CID 106681630) is 1-[4-ethyl-2-(2-methoxy-4,6-dimethylphenyl)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-ethyl-2-(2-methoxy-4,6-dimethylphenyl)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-ethyl-2-(2-methoxy-4,6-dimethylphenyl)cyclohexyl]-N-methylmethanamine is CCC1CCC(CNC)C(c2c(C)cc(C)cc2OC)C1.
What is the InChIKey of 1-[4-ethyl-2-(2-methoxy-4,6-dimethylphenyl)cyclohexyl]-N-methylmethanamine?
The InChIKey is XSLVUHPMZXFDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-6-15-7-8-16(12-20-4)17(11-15)19-14(3)9-13(2)10-18(19)21-5/h9-10,15-17,20H,6-8,11-12H2,1-5H3.
What are the key properties of 1-[4-ethyl-2-(2-methoxy-4,6-dimethylphenyl)cyclohexyl]-N-methylmethanamine?
1-[4-ethyl-2-(2-methoxy-4,6-dimethylphenyl)cyclohexyl]-N-methylmethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-2-(2-methoxy-4,6-dimethylphenyl)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 106681630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).