1-methoxy-2-(3-methoxycyclohexa-2,5-dien-1-yl)-N-methylethanamine

C11H19NO2 — CID 70508829

IUPAC1-methoxy-2-(3-methoxycyclohexa-2,5-dien-1-yl)-N-methylethanamine
SMILESCNC(CC1C=CCC(OC)=C1)OC
InChIInChI=1S/C11H19NO2/c1-12-11(14-3)8-9-5-4-6-10(7-9)13-2/h4-5,7,9,11-12H,6,8H2,1-3H3
InChIKeyLMMDBWVNNFWUHY-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.67
Rot. Bonds5

About 1-methoxy-2-(3-methoxycyclohexa-2,5-dien-1-yl)-N-methylethanamine

1-methoxy-2-(3-methoxycyclohexa-2,5-dien-1-yl)-N-methylethanamine (PubChem CID 70508829) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-methoxy-2-(3-methoxycyclohexa-2,5-dien-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-methoxy-2-(3-methoxycyclohexa-2,5-dien-1-yl)-N-methylethanamine
PubChem CID70508829
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-methoxy-2-(3-methoxycyclohexa-2,5-dien-1-yl)-N-methylethanamine
SMILESCNC(CC1C=CCC(OC)=C1)OC
InChIInChI=1S/C11H19NO2/c1-12-11(14-3)8-9-5-4-6-10(7-9)13-2/h4-5,7,9,11-12H,6,8H2,1-3H3
InChIKeyLMMDBWVNNFWUHY-UHFFFAOYSA-N
XLogP1.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(3-methoxycyclohexa-2,5-dien-1-yl)-N-methylethanamine?
The IUPAC name of 1-methoxy-2-(3-methoxycyclohexa-2,5-dien-1-yl)-N-methylethanamine (CID 70508829) is 1-methoxy-2-(3-methoxycyclohexa-2,5-dien-1-yl)-N-methylethanamine.
What is the SMILES notation for 1-methoxy-2-(3-methoxycyclohexa-2,5-dien-1-yl)-N-methylethanamine?
The canonical SMILES for 1-methoxy-2-(3-methoxycyclohexa-2,5-dien-1-yl)-N-methylethanamine is CNC(CC1C=CCC(OC)=C1)OC.
What is the InChIKey of 1-methoxy-2-(3-methoxycyclohexa-2,5-dien-1-yl)-N-methylethanamine?
The InChIKey is LMMDBWVNNFWUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-12-11(14-3)8-9-5-4-6-10(7-9)13-2/h4-5,7,9,11-12H,6,8H2,1-3H3.
What are the key properties of 1-methoxy-2-(3-methoxycyclohexa-2,5-dien-1-yl)-N-methylethanamine?
1-methoxy-2-(3-methoxycyclohexa-2,5-dien-1-yl)-N-methylethanamine has a molecular weight of 197.28 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(3-methoxycyclohexa-2,5-dien-1-yl)-N-methylethanamine is sourced from PubChem (CID 70508829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).