2-methoxy-N-methyl-N-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]ethanamine

C13H23NO2 — CID 155031392

IUPAC2-methoxy-N-methyl-N-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]ethanamine
SMILESCOCCN(C)CCOC1C=CC(C)=CC1
InChIInChI=1S/C13H23NO2/c1-12-4-6-13(7-5-12)16-11-9-14(2)8-10-15-3/h4-6,13H,7-11H2,1-3H3
InChIKeyGNLBAUKCPXIECG-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.86
Rot. Bonds7

About 2-methoxy-N-methyl-N-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]ethanamine

2-methoxy-N-methyl-N-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]ethanamine (PubChem CID 155031392) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]ethanamine
PubChem CID155031392
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-methoxy-N-methyl-N-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]ethanamine
SMILESCOCCN(C)CCOC1C=CC(C)=CC1
InChIInChI=1S/C13H23NO2/c1-12-4-6-13(7-5-12)16-11-9-14(2)8-10-15-3/h4-6,13H,7-11H2,1-3H3
InChIKeyGNLBAUKCPXIECG-UHFFFAOYSA-N
XLogP1.86
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]ethanamine?
The IUPAC name of 2-methoxy-N-methyl-N-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]ethanamine (CID 155031392) is 2-methoxy-N-methyl-N-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-methyl-N-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]ethanamine?
The canonical SMILES for 2-methoxy-N-methyl-N-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]ethanamine is COCCN(C)CCOC1C=CC(C)=CC1.
What is the InChIKey of 2-methoxy-N-methyl-N-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]ethanamine?
The InChIKey is GNLBAUKCPXIECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-12-4-6-13(7-5-12)16-11-9-14(2)8-10-15-3/h4-6,13H,7-11H2,1-3H3.
What are the key properties of 2-methoxy-N-methyl-N-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]ethanamine?
2-methoxy-N-methyl-N-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]ethanamine has a molecular weight of 225.33 g/mol, XLogP of 1.86, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]ethanamine is sourced from PubChem (CID 155031392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).