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

C12H17NO2 — CID 117296160

IUPAC3-(1-aminocyclopropyl)-2-methoxy-5,6-dimethylphenol
SMILESCOc1c(C2(N)CC2)cc(C)c(C)c1O
InChIInChI=1S/C12H17NO2/c1-7-6-9(12(13)4-5-12)11(15-3)10(14)8(7)2/h6,14H,4-5,13H2,1-3H3
InChIKeyAVYRCZWAMJGTIX-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.97
Rot. Bonds2

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

3-(1-aminocyclopropyl)-2-methoxy-5,6-dimethylphenol (PubChem CID 117296160) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-(1-aminocyclopropyl)-2-methoxy-5,6-dimethylphenol.

Molecular Properties

Compound Name3-(1-aminocyclopropyl)-2-methoxy-5,6-dimethylphenol
PubChem CID117296160
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-(1-aminocyclopropyl)-2-methoxy-5,6-dimethylphenol
SMILESCOc1c(C2(N)CC2)cc(C)c(C)c1O
InChIInChI=1S/C12H17NO2/c1-7-6-9(12(13)4-5-12)11(15-3)10(14)8(7)2/h6,14H,4-5,13H2,1-3H3
InChIKeyAVYRCZWAMJGTIX-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

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Related Compounds

1-(2,3-dimethoxy-4,5-dimethylphenyl)cyclopropan-1-amine
CID 84788006
4-(1-aminocyclopropyl)-2-fluoro-3-methoxy-6-methylphenol
CID 84781666
4-(1-aminocyclopropyl)-2-chloro-3-methoxy-6-methylphenol
CID 84791831
6-(1-aminocyclopropyl)-3,4-dimethylbenzene-1,2-diol
CID 117283660
6-(1-aminocyclopropyl)-4-methoxy-2,3-dimethylphenol
CID 117296164
6-(1-aminocyclohexyl)-3,4-dimethylbenzene-1,2-diol
CID 117343165
3-(1-aminocyclohexyl)-2-fluoro-6-methoxy-5-methylphenol
CID 117386077
2-(1-aminocyclopropyl)-6-methoxy-3,4-dimethylphenol
CID 117296163
6-[1-(1-aminoethyl)cyclopropyl]-2-methoxy-3,4-dimethylphenol
CID 117343281
6-(1-aminocyclobutyl)-2-methoxy-3-methylphenol
CID 117296195
2,3-dimethoxy-5,6-dimethylphenol
CID 53405608
1-(2,3-dimethoxy-5,6-dimethylphenyl)cyclopropan-1-amine
CID 117316555

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminocyclopropyl)-2-methoxy-5,6-dimethylphenol?
The IUPAC name of 3-(1-aminocyclopropyl)-2-methoxy-5,6-dimethylphenol (CID 117296160) is 3-(1-aminocyclopropyl)-2-methoxy-5,6-dimethylphenol.
What is the SMILES notation for 3-(1-aminocyclopropyl)-2-methoxy-5,6-dimethylphenol?
The canonical SMILES for 3-(1-aminocyclopropyl)-2-methoxy-5,6-dimethylphenol is COc1c(C2(N)CC2)cc(C)c(C)c1O.
What is the InChIKey of 3-(1-aminocyclopropyl)-2-methoxy-5,6-dimethylphenol?
The InChIKey is AVYRCZWAMJGTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-7-6-9(12(13)4-5-12)11(15-3)10(14)8(7)2/h6,14H,4-5,13H2,1-3H3.
What are the key properties of 3-(1-aminocyclopropyl)-2-methoxy-5,6-dimethylphenol?
3-(1-aminocyclopropyl)-2-methoxy-5,6-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 3-(1-aminocyclopropyl)-2-methoxy-5,6-dimethylphenol is sourced from PubChem (CID 117296160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).