6-(1-aminocyclopropyl)-2,3-dimethoxyphenol

C11H15NO3 — CID 117298428

IUPAC6-(1-aminocyclopropyl)-2,3-dimethoxyphenol
SMILESCOc1ccc(C2(N)CC2)c(O)c1OC
InChIInChI=1S/C11H15NO3/c1-14-8-4-3-7(11(12)5-6-11)9(13)10(8)15-2/h3-4,13H,5-6,12H2,1-2H3
InChIKeyGAJSZESARPBRPZ-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.36
Rot. Bonds3

About 6-(1-aminocyclopropyl)-2,3-dimethoxyphenol

6-(1-aminocyclopropyl)-2,3-dimethoxyphenol (PubChem CID 117298428) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 6-(1-aminocyclopropyl)-2,3-dimethoxyphenol.

Molecular Properties

Compound Name6-(1-aminocyclopropyl)-2,3-dimethoxyphenol
PubChem CID117298428
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name6-(1-aminocyclopropyl)-2,3-dimethoxyphenol
SMILESCOc1ccc(C2(N)CC2)c(O)c1OC
InChIInChI=1S/C11H15NO3/c1-14-8-4-3-7(11(12)5-6-11)9(13)10(8)15-2/h3-4,13H,5-6,12H2,1-2H3
InChIKeyGAJSZESARPBRPZ-UHFFFAOYSA-N
XLogP1.36
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethoxy-2-methylphenyl)cyclohexan-1-amine
CID 117377333
1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine
CID 117381460
6-(1-aminocyclobutyl)-2-methoxy-3-methylphenol
CID 117296195
6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol
CID 117417803
1-(3-bromo-2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 84809618
1-(3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine
CID 117342967
1-(2-hydroxy-3,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117383426
4-(1-aminocyclopropyl)-3-methoxyphenol
CID 84732182
1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 84787995
6-(1-aminocyclopropyl)-4-methoxy-2,3-dimethylphenol
CID 117296164
1-(2,4-dimethoxy-3-methylphenyl)cyclobutan-1-amine
CID 117316614
3-(1-aminocyclohexyl)-6-bromo-2-methoxyphenol
CID 117483401

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminocyclopropyl)-2,3-dimethoxyphenol?
The IUPAC name of 6-(1-aminocyclopropyl)-2,3-dimethoxyphenol (CID 117298428) is 6-(1-aminocyclopropyl)-2,3-dimethoxyphenol.
What is the SMILES notation for 6-(1-aminocyclopropyl)-2,3-dimethoxyphenol?
The canonical SMILES for 6-(1-aminocyclopropyl)-2,3-dimethoxyphenol is COc1ccc(C2(N)CC2)c(O)c1OC.
What is the InChIKey of 6-(1-aminocyclopropyl)-2,3-dimethoxyphenol?
The InChIKey is GAJSZESARPBRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-14-8-4-3-7(11(12)5-6-11)9(13)10(8)15-2/h3-4,13H,5-6,12H2,1-2H3.
What are the key properties of 6-(1-aminocyclopropyl)-2,3-dimethoxyphenol?
6-(1-aminocyclopropyl)-2,3-dimethoxyphenol has a molecular weight of 209.25 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminocyclopropyl)-2,3-dimethoxyphenol is sourced from PubChem (CID 117298428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).