5,6-dimethoxycyclohexa-2,4-dien-1-amine

C8H13NO2 — CID 23505196

IUPAC5,6-dimethoxycyclohexa-2,4-dien-1-amine
SMILESCOC1=CC=CC(N)C1OC
InChIInChI=1S/C8H13NO2/c1-10-7-5-3-4-6(9)8(7)11-2/h3-6,8H,9H2,1-2H3
InChIKeyULWHLMZFTNMERO-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.43
Rot. Bonds2

About 5,6-dimethoxycyclohexa-2,4-dien-1-amine

5,6-dimethoxycyclohexa-2,4-dien-1-amine (PubChem CID 23505196) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 5,6-dimethoxycyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name5,6-dimethoxycyclohexa-2,4-dien-1-amine
PubChem CID23505196
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name5,6-dimethoxycyclohexa-2,4-dien-1-amine
SMILESCOC1=CC=CC(N)C1OC
InChIInChI=1S/C8H13NO2/c1-10-7-5-3-4-6(9)8(7)11-2/h3-6,8H,9H2,1-2H3
InChIKeyULWHLMZFTNMERO-UHFFFAOYSA-N
XLogP0.43
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 ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxycyclohexa-2,4-dien-1-amine?
The IUPAC name of 5,6-dimethoxycyclohexa-2,4-dien-1-amine (CID 23505196) is 5,6-dimethoxycyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 5,6-dimethoxycyclohexa-2,4-dien-1-amine?
The canonical SMILES for 5,6-dimethoxycyclohexa-2,4-dien-1-amine is COC1=CC=CC(N)C1OC.
What is the InChIKey of 5,6-dimethoxycyclohexa-2,4-dien-1-amine?
The InChIKey is ULWHLMZFTNMERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-10-7-5-3-4-6(9)8(7)11-2/h3-6,8H,9H2,1-2H3.
What are the key properties of 5,6-dimethoxycyclohexa-2,4-dien-1-amine?
5,6-dimethoxycyclohexa-2,4-dien-1-amine has a molecular weight of 155.20 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxycyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 23505196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).