2-methoxy-N-methyl-1-(4-propylcyclohexyl)ethanamine

C13H27NO — CID 79575352

IUPAC2-methoxy-N-methyl-1-(4-propylcyclohexyl)ethanamine
SMILESCCCC1CCC(C(COC)NC)CC1
InChIInChI=1S/C13H27NO/c1-4-5-11-6-8-12(9-7-11)13(14-2)10-15-3/h11-14H,4-10H2,1-3H3
InChIKeyAOYLPOYAFPFAIY-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds6

About 2-methoxy-N-methyl-1-(4-propylcyclohexyl)ethanamine

2-methoxy-N-methyl-1-(4-propylcyclohexyl)ethanamine (PubChem CID 79575352) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-methoxy-N-methyl-1-(4-propylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-methoxy-N-methyl-1-(4-propylcyclohexyl)ethanamine
PubChem CID79575352
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-methoxy-N-methyl-1-(4-propylcyclohexyl)ethanamine
SMILESCCCC1CCC(C(COC)NC)CC1
InChIInChI=1S/C13H27NO/c1-4-5-11-6-8-12(9-7-11)13(14-2)10-15-3/h11-14H,4-10H2,1-3H3
InChIKeyAOYLPOYAFPFAIY-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-1-(4-propylcyclohexyl)ethanamine?
The IUPAC name of 2-methoxy-N-methyl-1-(4-propylcyclohexyl)ethanamine (CID 79575352) is 2-methoxy-N-methyl-1-(4-propylcyclohexyl)ethanamine.
What is the SMILES notation for 2-methoxy-N-methyl-1-(4-propylcyclohexyl)ethanamine?
The canonical SMILES for 2-methoxy-N-methyl-1-(4-propylcyclohexyl)ethanamine is CCCC1CCC(C(COC)NC)CC1.
What is the InChIKey of 2-methoxy-N-methyl-1-(4-propylcyclohexyl)ethanamine?
The InChIKey is AOYLPOYAFPFAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-5-11-6-8-12(9-7-11)13(14-2)10-15-3/h11-14H,4-10H2,1-3H3.
What are the key properties of 2-methoxy-N-methyl-1-(4-propylcyclohexyl)ethanamine?
2-methoxy-N-methyl-1-(4-propylcyclohexyl)ethanamine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-1-(4-propylcyclohexyl)ethanamine is sourced from PubChem (CID 79575352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).