4,5-dimethoxycyclohexa-2,4-dien-1-amine

C8H13NO2 — CID 89211055

IUPAC4,5-dimethoxycyclohexa-2,4-dien-1-amine
SMILESCOC1=C(OC)CC(N)C=C1
InChIInChI=1S/C8H13NO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-4,6H,5,9H2,1-2H3
InChIKeyOGYQDAWTNMSWLJ-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.78
Rot. Bonds2

About 4,5-dimethoxycyclohexa-2,4-dien-1-amine

4,5-dimethoxycyclohexa-2,4-dien-1-amine (PubChem CID 89211055) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 4,5-dimethoxycyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4,5-dimethoxycyclohexa-2,4-dien-1-amine
PubChem CID89211055
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name4,5-dimethoxycyclohexa-2,4-dien-1-amine
SMILESCOC1=C(OC)CC(N)C=C1
InChIInChI=1S/C8H13NO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-4,6H,5,9H2,1-2H3
InChIKeyOGYQDAWTNMSWLJ-UHFFFAOYSA-N
XLogP0.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Fluoro-4-methoxy-6-methylcyclohexa-2,4-dien-1-amine
CID 68421839
p-Aminomethoxyanisidine
CID 172914358
4-Methoxycyclohexa-2,4-dien-1-amine
CID 15267074
1,5-Dimethoxycyclohexa-2,4-dien-1-amine
CID 21999568
1-(2H-pyran-4-yl)ethanamine
CID 23344134
5,6-Dimethoxycyclohexa-2,4-dien-1-amine
CID 23505196
1-(3,4-dihydro-2H-oxepin-7-ylidene)butan-2-amine
CID 57009658
1,4-Dimethoxycyclohexa-2,4-dien-1-amine
CID 66808799
1-(5-Cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethanamine
CID 67493337
4-Ethoxycyclohexa-2,4-dien-1-amine
CID 67819232
3,6-Dimethoxy-6-methylcyclohexa-2,4-dien-1-amine
CID 68129776
1,5-Dimethoxycyclohexa-3,5-diene-1,2-diamine
CID 70022354

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxycyclohexa-2,4-dien-1-amine?
The IUPAC name of 4,5-dimethoxycyclohexa-2,4-dien-1-amine (CID 89211055) is 4,5-dimethoxycyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4,5-dimethoxycyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4,5-dimethoxycyclohexa-2,4-dien-1-amine is COC1=C(OC)CC(N)C=C1.
What is the InChIKey of 4,5-dimethoxycyclohexa-2,4-dien-1-amine?
The InChIKey is OGYQDAWTNMSWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-4,6H,5,9H2,1-2H3.
What are the key properties of 4,5-dimethoxycyclohexa-2,4-dien-1-amine?
4,5-dimethoxycyclohexa-2,4-dien-1-amine has a molecular weight of 155.20 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxycyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 89211055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).