6-(1-aminocyclopropyl)-4-methoxy-2,3-dimethylphenol

C12H17NO2 — CID 117296164

IUPAC6-(1-aminocyclopropyl)-4-methoxy-2,3-dimethylphenol
SMILESCOc1cc(C2(N)CC2)c(O)c(C)c1C
InChIInChI=1S/C12H17NO2/c1-7-8(2)11(14)9(6-10(7)15-3)12(13)4-5-12/h6,14H,4-5,13H2,1-3H3
InChIKeyQRPGIUMUCWPGNX-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.97
Rot. Bonds2

About 6-(1-aminocyclopropyl)-4-methoxy-2,3-dimethylphenol

6-(1-aminocyclopropyl)-4-methoxy-2,3-dimethylphenol (PubChem CID 117296164) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 6-(1-aminocyclopropyl)-4-methoxy-2,3-dimethylphenol.

Molecular Properties

Compound Name6-(1-aminocyclopropyl)-4-methoxy-2,3-dimethylphenol
PubChem CID117296164
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name6-(1-aminocyclopropyl)-4-methoxy-2,3-dimethylphenol
SMILESCOc1cc(C2(N)CC2)c(O)c(C)c1C
InChIInChI=1S/C12H17NO2/c1-7-8(2)11(14)9(6-10(7)15-3)12(13)4-5-12/h6,14H,4-5,13H2,1-3H3
InChIKeyQRPGIUMUCWPGNX-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

3-(1-aminocyclopropyl)-2-methoxy-5,6-dimethylphenol
CID 117296160
1-(2-hydroxy-5-methoxy-3,4-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 117344803
2-(1-aminocyclopropyl)-5-methoxy-3,6-dimethylphenol
CID 84779621
1-(3,5-dimethoxy-2-methylphenyl)cyclopropan-1-amine
CID 84779618
6-(1-aminocyclopropyl)-2,3-dimethoxyphenol
CID 117298428
2-(1-aminocyclopropyl)-6-methoxy-3,4-dimethylphenol
CID 117296163
2-(1-aminocyclopropyl)-5-chloro-4-methoxyphenol
CID 84783043
6-(1-aminocyclopropyl)-3,4-dimethylbenzene-1,2-diol
CID 117283660
4-(1-aminocyclopropyl)-3-methoxyphenol
CID 84732182
1-(4,5-dimethoxy-2,3-dimethylphenyl)cyclohexan-1-amine
CID 117413644
2-(1-aminocyclopentyl)-4-methoxy-5-methylphenol
CID 117316532
4-(1-aminocyclopropyl)-2-chloro-3-methoxy-6-methylphenol
CID 84791831

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminocyclopropyl)-4-methoxy-2,3-dimethylphenol?
The IUPAC name of 6-(1-aminocyclopropyl)-4-methoxy-2,3-dimethylphenol (CID 117296164) is 6-(1-aminocyclopropyl)-4-methoxy-2,3-dimethylphenol.
What is the SMILES notation for 6-(1-aminocyclopropyl)-4-methoxy-2,3-dimethylphenol?
The canonical SMILES for 6-(1-aminocyclopropyl)-4-methoxy-2,3-dimethylphenol is COc1cc(C2(N)CC2)c(O)c(C)c1C.
What is the InChIKey of 6-(1-aminocyclopropyl)-4-methoxy-2,3-dimethylphenol?
The InChIKey is QRPGIUMUCWPGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-7-8(2)11(14)9(6-10(7)15-3)12(13)4-5-12/h6,14H,4-5,13H2,1-3H3.
What are the key properties of 6-(1-aminocyclopropyl)-4-methoxy-2,3-dimethylphenol?
6-(1-aminocyclopropyl)-4-methoxy-2,3-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 6-(1-aminocyclopropyl)-4-methoxy-2,3-dimethylphenol is sourced from PubChem (CID 117296164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).