2-(1-aminocyclopropyl)-5-methoxy-3,6-dimethylphenol

C12H17NO2 — CID 84779621

IUPAC2-(1-aminocyclopropyl)-5-methoxy-3,6-dimethylphenol
SMILESCOc1cc(C)c(C2(N)CC2)c(O)c1C
InChIInChI=1S/C12H17NO2/c1-7-6-9(15-3)8(2)11(14)10(7)12(13)4-5-12/h6,14H,4-5,13H2,1-3H3
InChIKeyINJRGYVCLJPQRS-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.97
Rot. Bonds2

About 2-(1-aminocyclopropyl)-5-methoxy-3,6-dimethylphenol

2-(1-aminocyclopropyl)-5-methoxy-3,6-dimethylphenol (PubChem CID 84779621) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(1-aminocyclopropyl)-5-methoxy-3,6-dimethylphenol.

Molecular Properties

Compound Name2-(1-aminocyclopropyl)-5-methoxy-3,6-dimethylphenol
PubChem CID84779621
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(1-aminocyclopropyl)-5-methoxy-3,6-dimethylphenol
SMILESCOc1cc(C)c(C2(N)CC2)c(O)c1C
InChIInChI=1S/C12H17NO2/c1-7-6-9(15-3)8(2)11(14)10(7)12(13)4-5-12/h6,14H,4-5,13H2,1-3H3
InChIKeyINJRGYVCLJPQRS-UHFFFAOYSA-N
XLogP1.97
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-aminocyclohexyl)-5-methoxy-3,6-dimethylphenol
CID 117377331
2-(1-aminocyclopropyl)-6-methoxy-3,4-dimethylphenol
CID 117296163
1-(3-chloro-4-methoxy-2,6-dimethylphenyl)cyclopropan-1-amine
CID 84790598
1-(2,3-dimethoxy-5,6-dimethylphenyl)cyclopropan-1-amine
CID 117316555
6-(1-aminocyclopropyl)-4-methoxy-2,3-dimethylphenol
CID 117296164
2-(1-aminocyclopentyl)-3,5,6-trimethylphenol
CID 117112800
1-(3,4-dimethoxy-2,6-dimethylphenyl)cyclohexan-1-amine
CID 117413656
2-(1-aminocyclohexyl)-3-chloro-6-methoxy-4-methylphenol
CID 117427699
2-(1-aminocyclopropyl)-6-chloro-3,5-dimethylphenol
CID 84782027
2-(1-aminocyclobutyl)-4-bromo-6-methoxy-3-methylphenol
CID 117461200
3,5-dimethoxy-2,6-dimethylphenol
CID 25145990
3-(1-aminocyclopropyl)-2-methoxy-5,6-dimethylphenol
CID 117296160

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopropyl)-5-methoxy-3,6-dimethylphenol?
The IUPAC name of 2-(1-aminocyclopropyl)-5-methoxy-3,6-dimethylphenol (CID 84779621) is 2-(1-aminocyclopropyl)-5-methoxy-3,6-dimethylphenol.
What is the SMILES notation for 2-(1-aminocyclopropyl)-5-methoxy-3,6-dimethylphenol?
The canonical SMILES for 2-(1-aminocyclopropyl)-5-methoxy-3,6-dimethylphenol is COc1cc(C)c(C2(N)CC2)c(O)c1C.
What is the InChIKey of 2-(1-aminocyclopropyl)-5-methoxy-3,6-dimethylphenol?
The InChIKey is INJRGYVCLJPQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-7-6-9(15-3)8(2)11(14)10(7)12(13)4-5-12/h6,14H,4-5,13H2,1-3H3.
What are the key properties of 2-(1-aminocyclopropyl)-5-methoxy-3,6-dimethylphenol?
2-(1-aminocyclopropyl)-5-methoxy-3,6-dimethylphenol has a molecular weight of 207.27 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopropyl)-5-methoxy-3,6-dimethylphenol is sourced from PubChem (CID 84779621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).