6-(1-aminocyclopropyl)-3,4-dimethylbenzene-1,2-diol

C11H15NO2 — CID 117283660

IUPAC6-(1-aminocyclopropyl)-3,4-dimethylbenzene-1,2-diol
SMILESCc1cc(C2(N)CC2)c(O)c(O)c1C
InChIInChI=1S/C11H15NO2/c1-6-5-8(11(12)3-4-11)10(14)9(13)7(6)2/h5,13-14H,3-4,12H2,1-2H3
InChIKeyFSCCIRNJYXSXLL-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.66
Rot. Bonds1

About 6-(1-aminocyclopropyl)-3,4-dimethylbenzene-1,2-diol

6-(1-aminocyclopropyl)-3,4-dimethylbenzene-1,2-diol (PubChem CID 117283660) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 6-(1-aminocyclopropyl)-3,4-dimethylbenzene-1,2-diol.

Molecular Properties

Compound Name6-(1-aminocyclopropyl)-3,4-dimethylbenzene-1,2-diol
PubChem CID117283660
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name6-(1-aminocyclopropyl)-3,4-dimethylbenzene-1,2-diol
SMILESCc1cc(C2(N)CC2)c(O)c(O)c1C
InChIInChI=1S/C11H15NO2/c1-6-5-8(11(12)3-4-11)10(14)9(13)7(6)2/h5,13-14H,3-4,12H2,1-2H3
InChIKeyFSCCIRNJYXSXLL-UHFFFAOYSA-N
XLogP1.66
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

6-(1-aminocyclohexyl)-3,4-dimethylbenzene-1,2-diol
CID 117343165
3-(1-aminocyclopropyl)-2-methoxy-5,6-dimethylphenol
CID 117296160
4-(1-aminocyclohexyl)-2,3,6-trimethylphenol
CID 117114619
6-(1-aminocyclopropyl)-4-methoxy-2,3-dimethylphenol
CID 117296164
2-(1-aminocyclopentyl)-3,5,6-trimethylphenol
CID 117112800
2-(1-aminocyclopropyl)-6-chloro-3,4-dimethylphenol
CID 84782034
1-(2,3-dimethoxy-4,5-dimethylphenyl)cyclopropan-1-amine
CID 84788006
1-(5-chloro-2,3-dimethylphenyl)cyclopropan-1-amine
CID 84773855
4-(1-aminocyclopropyl)-2-fluoro-3-methoxy-6-methylphenol
CID 84781666
4-(1-aminocyclopropyl)-2-chloro-3-methoxy-6-methylphenol
CID 84791831
1-(2-fluoro-4,5-dimethylphenyl)cyclopropan-1-amine
CID 84767927
2-(1-aminocyclopropyl)-6-methoxy-3,4-dimethylphenol
CID 117296163

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminocyclopropyl)-3,4-dimethylbenzene-1,2-diol?
The IUPAC name of 6-(1-aminocyclopropyl)-3,4-dimethylbenzene-1,2-diol (CID 117283660) is 6-(1-aminocyclopropyl)-3,4-dimethylbenzene-1,2-diol.
What is the SMILES notation for 6-(1-aminocyclopropyl)-3,4-dimethylbenzene-1,2-diol?
The canonical SMILES for 6-(1-aminocyclopropyl)-3,4-dimethylbenzene-1,2-diol is Cc1cc(C2(N)CC2)c(O)c(O)c1C.
What is the InChIKey of 6-(1-aminocyclopropyl)-3,4-dimethylbenzene-1,2-diol?
The InChIKey is FSCCIRNJYXSXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-6-5-8(11(12)3-4-11)10(14)9(13)7(6)2/h5,13-14H,3-4,12H2,1-2H3.
What are the key properties of 6-(1-aminocyclopropyl)-3,4-dimethylbenzene-1,2-diol?
6-(1-aminocyclopropyl)-3,4-dimethylbenzene-1,2-diol has a molecular weight of 193.25 g/mol, XLogP of 1.66, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminocyclopropyl)-3,4-dimethylbenzene-1,2-diol is sourced from PubChem (CID 117283660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).