2-(3,4-dimethylphenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine

C18H29NO — CID 116763039

IUPAC2-(3,4-dimethylphenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
SMILESCNC(Cc1ccc(C)c(C)c1)C1(OC)CCCCC1
InChIInChI=1S/C18H29NO/c1-14-8-9-16(12-15(14)2)13-17(19-3)18(20-4)10-6-5-7-11-18/h8-9,12,17,19H,5-7,10-11,13H2,1-4H3
InChIKeyQBIPFGIRNDIBNJ-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.78
Rot. Bonds5

About 2-(3,4-dimethylphenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine

2-(3,4-dimethylphenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine (PubChem CID 116763039) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
PubChem CID116763039
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-(3,4-dimethylphenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
SMILESCNC(Cc1ccc(C)c(C)c1)C1(OC)CCCCC1
InChIInChI=1S/C18H29NO/c1-14-8-9-16(12-15(14)2)13-17(19-3)18(20-4)10-6-5-7-11-18/h8-9,12,17,19H,5-7,10-11,13H2,1-4H3
InChIKeyQBIPFGIRNDIBNJ-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770211
1-(1-methoxycycloheptyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 116770183
2-(2,5-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770210
2-(3-bromophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770088
2-(4-iodophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 116714268
2-(2,5-dimethylphenyl)-1-(1-methoxycyclopentyl)-N-methylethanamine
CID 104610924
1-(1-methoxycyclohexyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 116762893
2-(5-fluoro-2-methylphenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 105374348
2-(3-bromo-5-fluorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770078
[2-(4-iodophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine
CID 105278223
2-(3,4-dimethylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 116769197
2-(2,4-dichlorophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770042

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine (CID 116763039) is 2-(3,4-dimethylphenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine is CNC(Cc1ccc(C)c(C)c1)C1(OC)CCCCC1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine?
The InChIKey is QBIPFGIRNDIBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14-8-9-16(12-15(14)2)13-17(19-3)18(20-4)10-6-5-7-11-18/h8-9,12,17,19H,5-7,10-11,13H2,1-4H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine?
2-(3,4-dimethylphenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine has a molecular weight of 275.44 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine is sourced from PubChem (CID 116763039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).