2-(6-ethoxy-5-methoxycyclohepta-1,4,6-trien-1-yl)ethanamine

C12H19NO2 — CID 143110196

IUPAC2-(6-ethoxy-5-methoxycyclohepta-1,4,6-trien-1-yl)ethanamine
SMILESCCOC1=CC(CCN)=CCC=C1OC
InChIInChI=1S/C12H19NO2/c1-3-15-12-9-10(7-8-13)5-4-6-11(12)14-2/h5-6,9H,3-4,7-8,13H2,1-2H3
InChIKeyZYQRABWNNJRBOZ-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.12
Rot. Bonds5

About 2-(6-ethoxy-5-methoxycyclohepta-1,4,6-trien-1-yl)ethanamine

2-(6-ethoxy-5-methoxycyclohepta-1,4,6-trien-1-yl)ethanamine (PubChem CID 143110196) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(6-ethoxy-5-methoxycyclohepta-1,4,6-trien-1-yl)ethanamine.

Molecular Properties

Compound Name2-(6-ethoxy-5-methoxycyclohepta-1,4,6-trien-1-yl)ethanamine
PubChem CID143110196
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-(6-ethoxy-5-methoxycyclohepta-1,4,6-trien-1-yl)ethanamine
SMILESCCOC1=CC(CCN)=CCC=C1OC
InChIInChI=1S/C12H19NO2/c1-3-15-12-9-10(7-8-13)5-4-6-11(12)14-2/h5-6,9H,3-4,7-8,13H2,1-2H3
InChIKeyZYQRABWNNJRBOZ-UHFFFAOYSA-N
XLogP2.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,5-Dimethoxycyclohexa-1,5-dien-1-yl)ethanamine
CID 70310736
(E)-[(3E)-3-[(E)-3-methylpent-2-enylidene]-1,4-dioxan-2-ylidene]methanamine
CID 89210523
5-Methoxy-3,8-dimethylnona-3,5,7-trien-1-amine
CID 90796927
2-(3-Methoxycyclohepta-1,3,6-trien-1-yl)ethanamine
CID 90818419
5,6-dimethoxy-N-methyl-3-methylidenehex-4-en-1-amine
CID 123422902
(2,4-Dimethoxycyclohepta-1,3,5-trien-1-yl)methanamine
CID 132037333
2-(6-Ethoxycyclohexa-1,5-dien-1-yl)oxyethanamine
CID 141975042
(3Z,5Z)-4-methoxy-3-methylocta-3,5,7-trien-1-amine
CID 141975532
(3E)-4,5-dimethoxy-2-methylidenehexa-3,5-dien-1-amine
CID 142173882
2-(4-ethoxycyclohepta-1,3,5,6-tetraen-1-yl)-N-methylethanamine
CID 142206565
N-[2-(6-ethoxy-5-methoxycyclohepta-1,4,6-trien-1-yl)ethyl]propan-2-amine;molecular hydrogen
CID 142256513
2-(5-Ethoxy-4-methoxycyclohepta-1,3,5-trien-1-yl)ethanamine
CID 143109946

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethoxy-5-methoxycyclohepta-1,4,6-trien-1-yl)ethanamine?
The IUPAC name of 2-(6-ethoxy-5-methoxycyclohepta-1,4,6-trien-1-yl)ethanamine (CID 143110196) is 2-(6-ethoxy-5-methoxycyclohepta-1,4,6-trien-1-yl)ethanamine.
What is the SMILES notation for 2-(6-ethoxy-5-methoxycyclohepta-1,4,6-trien-1-yl)ethanamine?
The canonical SMILES for 2-(6-ethoxy-5-methoxycyclohepta-1,4,6-trien-1-yl)ethanamine is CCOC1=CC(CCN)=CCC=C1OC.
What is the InChIKey of 2-(6-ethoxy-5-methoxycyclohepta-1,4,6-trien-1-yl)ethanamine?
The InChIKey is ZYQRABWNNJRBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-15-12-9-10(7-8-13)5-4-6-11(12)14-2/h5-6,9H,3-4,7-8,13H2,1-2H3.
What are the key properties of 2-(6-ethoxy-5-methoxycyclohepta-1,4,6-trien-1-yl)ethanamine?
2-(6-ethoxy-5-methoxycyclohepta-1,4,6-trien-1-yl)ethanamine has a molecular weight of 209.29 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethoxy-5-methoxycyclohepta-1,4,6-trien-1-yl)ethanamine is sourced from PubChem (CID 143110196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).