2-(5-ethoxy-4-methoxycyclohepta-1,3,5-trien-1-yl)ethanamine

C12H19NO2 — CID 143109946

IUPAC2-(5-ethoxy-4-methoxycyclohepta-1,3,5-trien-1-yl)ethanamine
SMILESCCOC1=CCC(CCN)=CC=C1OC
InChIInChI=1S/C12H19NO2/c1-3-15-12-7-5-10(8-9-13)4-6-11(12)14-2/h4,6-7H,3,5,8-9,13H2,1-2H3
InChIKeySTHHFRWAXAQZSX-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.12
Rot. Bonds5

About 2-(5-ethoxy-4-methoxycyclohepta-1,3,5-trien-1-yl)ethanamine

2-(5-ethoxy-4-methoxycyclohepta-1,3,5-trien-1-yl)ethanamine (PubChem CID 143109946) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(5-ethoxy-4-methoxycyclohepta-1,3,5-trien-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-ethoxy-4-methoxycyclohepta-1,3,5-trien-1-yl)ethanamine
PubChem CID143109946
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-(5-ethoxy-4-methoxycyclohepta-1,3,5-trien-1-yl)ethanamine
SMILESCCOC1=CCC(CCN)=CC=C1OC
InChIInChI=1S/C12H19NO2/c1-3-15-12-7-5-10(8-9-13)4-6-11(12)14-2/h4,6-7H,3,5,8-9,13H2,1-2H3
InChIKeySTHHFRWAXAQZSX-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

5-(7-Fluoro-5-methylcyclohepta-1,4,6-trien-1-yl)oxypentan-1-amine
CID 143599172
2-(4,5-Dimethoxycyclohexa-1,5-dien-1-yl)ethanamine
CID 70310736
5,6-dimethoxy-N-methyl-3-methylidenehex-4-en-1-amine
CID 123422902
3-Ethylidene-6-methoxy-4-methylhepta-4,6-dien-1-amine
CID 124008979
4-(4-Cyclopentyloxy-5-ethoxycyclohepta-1,3,5-trien-1-yl)butan-1-amine
CID 139399336
N-[2-(6-ethoxy-5-methoxycyclohepta-1,4,6-trien-1-yl)ethyl]propan-2-amine;molecular hydrogen
CID 142256513
2-(6-Ethoxy-5-methoxycyclohepta-1,4,6-trien-1-yl)ethanamine
CID 143110196
2-(4,5-Dimethoxycyclohepta-1,4,6-trien-1-yl)ethanamine;ethane
CID 143218985
2-(4,5-Dimethoxycyclohepta-1,4,6-trien-1-yl)ethanamine
CID 143218986
(4,5-Dimethoxycyclohepta-1,3,5-trien-1-yl)methanamine
CID 143458434
1-(4,5,6-Trimethoxycyclohepta-1,4,6-trien-1-yl)propan-1-amine
CID 143904330
4-(2-Aminoethyl)-2-methoxycyclohepta-1,3,6-trien-1-ol
CID 144387400

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethoxy-4-methoxycyclohepta-1,3,5-trien-1-yl)ethanamine?
The IUPAC name of 2-(5-ethoxy-4-methoxycyclohepta-1,3,5-trien-1-yl)ethanamine (CID 143109946) is 2-(5-ethoxy-4-methoxycyclohepta-1,3,5-trien-1-yl)ethanamine.
What is the SMILES notation for 2-(5-ethoxy-4-methoxycyclohepta-1,3,5-trien-1-yl)ethanamine?
The canonical SMILES for 2-(5-ethoxy-4-methoxycyclohepta-1,3,5-trien-1-yl)ethanamine is CCOC1=CCC(CCN)=CC=C1OC.
What is the InChIKey of 2-(5-ethoxy-4-methoxycyclohepta-1,3,5-trien-1-yl)ethanamine?
The InChIKey is STHHFRWAXAQZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-15-12-7-5-10(8-9-13)4-6-11(12)14-2/h4,6-7H,3,5,8-9,13H2,1-2H3.
What are the key properties of 2-(5-ethoxy-4-methoxycyclohepta-1,3,5-trien-1-yl)ethanamine?
2-(5-ethoxy-4-methoxycyclohepta-1,3,5-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-(5-ethoxy-4-methoxycyclohepta-1,3,5-trien-1-yl)ethanamine is sourced from PubChem (CID 143109946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).