2-cyclohexyl-1-(3,4-dimethylphenyl)-2-methoxy-N-methylethanamine

C18H29NO — CID 116771600

IUPAC2-cyclohexyl-1-(3,4-dimethylphenyl)-2-methoxy-N-methylethanamine
SMILESCNC(c1ccc(C)c(C)c1)C(OC)C1CCCCC1
InChIInChI=1S/C18H29NO/c1-13-10-11-16(12-14(13)2)17(19-3)18(20-4)15-8-6-5-7-9-15/h10-12,15,17-19H,5-9H2,1-4H3
InChIKeyACCPNAOCUBJEJV-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.16
Rot. Bonds5

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

2-cyclohexyl-1-(3,4-dimethylphenyl)-2-methoxy-N-methylethanamine (PubChem CID 116771600) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-cyclohexyl-1-(3,4-dimethylphenyl)-2-methoxy-N-methylethanamine.

Molecular Properties

Compound Name2-cyclohexyl-1-(3,4-dimethylphenyl)-2-methoxy-N-methylethanamine
PubChem CID116771600
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-cyclohexyl-1-(3,4-dimethylphenyl)-2-methoxy-N-methylethanamine
SMILESCNC(c1ccc(C)c(C)c1)C(OC)C1CCCCC1
InChIInChI=1S/C18H29NO/c1-13-10-11-16(12-14(13)2)17(19-3)18(20-4)15-8-6-5-7-9-15/h10-12,15,17-19H,5-9H2,1-4H3
InChIKeyACCPNAOCUBJEJV-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethyl-2-methoxyethanamine
CID 116771781
2-cyclohexyl-2-methoxy-N-methyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 116771562
2-cyclohexyl-1-(3-fluoro-5-methylphenyl)-2-methoxy-N-methylethanamine
CID 116771626
2-cyclohexyl-2-methoxy-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 116771590
2-cyclohexyl-2-methoxy-1-(4-methoxy-2-methylphenyl)-N-methylethanamine
CID 116771624
2-cyclohexyl-1-(4-fluoro-2-methylphenyl)-2-methoxy-N-methylethanamine
CID 116771486
1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine
CID 116722171
2-cyclohexyl-1-(2,3-dimethylphenyl)-2-methoxy-N-methylethanamine
CID 116771448
2-cyclopropyl-1-(furan-3-yl)-2-methoxy-N-methylethanamine
CID 116722206
(R)-cyclohexyl-(3,4-dimethylphenyl)methanamine;hydrochloride
CID 171200491
1,2-dicyclohexyl-2-methoxy-N-methylethanamine
CID 116771418
2-cyclohexyl-2-ethoxy-1-(3-fluorophenyl)-N-methylethanamine
CID 116772276

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(3,4-dimethylphenyl)-2-methoxy-N-methylethanamine?
The IUPAC name of 2-cyclohexyl-1-(3,4-dimethylphenyl)-2-methoxy-N-methylethanamine (CID 116771600) is 2-cyclohexyl-1-(3,4-dimethylphenyl)-2-methoxy-N-methylethanamine.
What is the SMILES notation for 2-cyclohexyl-1-(3,4-dimethylphenyl)-2-methoxy-N-methylethanamine?
The canonical SMILES for 2-cyclohexyl-1-(3,4-dimethylphenyl)-2-methoxy-N-methylethanamine is CNC(c1ccc(C)c(C)c1)C(OC)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-(3,4-dimethylphenyl)-2-methoxy-N-methylethanamine?
The InChIKey is ACCPNAOCUBJEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13-10-11-16(12-14(13)2)17(19-3)18(20-4)15-8-6-5-7-9-15/h10-12,15,17-19H,5-9H2,1-4H3.
What are the key properties of 2-cyclohexyl-1-(3,4-dimethylphenyl)-2-methoxy-N-methylethanamine?
2-cyclohexyl-1-(3,4-dimethylphenyl)-2-methoxy-N-methylethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(3,4-dimethylphenyl)-2-methoxy-N-methylethanamine is sourced from PubChem (CID 116771600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).