1-(3,5-dimethoxy-2-methylphenyl)cyclopropan-1-amine

C12H17NO2 — CID 84779618

IUPAC1-(3,5-dimethoxy-2-methylphenyl)cyclopropan-1-amine
SMILESCOc1cc(OC)c(C)c(C2(N)CC2)c1
InChIInChI=1S/C12H17NO2/c1-8-10(12(13)4-5-12)6-9(14-2)7-11(8)15-3/h6-7H,4-5,13H2,1-3H3
InChIKeyAYBBGUBWNUCIIM-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.96
Rot. Bonds3

About 1-(3,5-dimethoxy-2-methylphenyl)cyclopropan-1-amine

1-(3,5-dimethoxy-2-methylphenyl)cyclopropan-1-amine (PubChem CID 84779618) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-(3,5-dimethoxy-2-methylphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethoxy-2-methylphenyl)cyclopropan-1-amine
PubChem CID84779618
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-(3,5-dimethoxy-2-methylphenyl)cyclopropan-1-amine
SMILESCOc1cc(OC)c(C)c(C2(N)CC2)c1
InChIInChI=1S/C12H17NO2/c1-8-10(12(13)4-5-12)6-9(14-2)7-11(8)15-3/h6-7H,4-5,13H2,1-3H3
InChIKeyAYBBGUBWNUCIIM-UHFFFAOYSA-N
XLogP1.96
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-5-methoxy-2-methylphenyl)cyclopropan-1-amine
CID 84782031
[1-(3,5-dimethoxy-2-methylphenyl)cyclopentyl]methanamine
CID 117377436
1-(2,3,5-trimethoxyphenyl)cyclobutan-1-amine
CID 117346828
6-(1-aminocyclopropyl)-4-methoxy-2,3-dimethylphenol
CID 117296164
1-(2-bromo-4,6-dimethoxyphenyl)cyclopropan-1-amine
CID 84809508
1-(3,5-dimethoxy-2-methylphenyl)cyclohexane-1-carboxylic acid
CID 117446109
1-(1-isocyanatocyclobutyl)-3,5-dimethoxy-2-methylbenzene
CID 117370308
1-(2-bromo-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine
CID 84806376
1-(2-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine
CID 84784359
3-(1-aminocyclopropyl)-2-fluoro-5-methoxyphenol
CID 117286770
1-(2-fluoro-5-methoxy-3-methylphenyl)cyclobutan-1-amine
CID 117299047
1-(4,5-dimethoxy-2,3-dimethylphenyl)cyclohexan-1-amine
CID 117413644

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxy-2-methylphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(3,5-dimethoxy-2-methylphenyl)cyclopropan-1-amine (CID 84779618) is 1-(3,5-dimethoxy-2-methylphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3,5-dimethoxy-2-methylphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(3,5-dimethoxy-2-methylphenyl)cyclopropan-1-amine is COc1cc(OC)c(C)c(C2(N)CC2)c1.
What is the InChIKey of 1-(3,5-dimethoxy-2-methylphenyl)cyclopropan-1-amine?
The InChIKey is AYBBGUBWNUCIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-10(12(13)4-5-12)6-9(14-2)7-11(8)15-3/h6-7H,4-5,13H2,1-3H3.
What are the key properties of 1-(3,5-dimethoxy-2-methylphenyl)cyclopropan-1-amine?
1-(3,5-dimethoxy-2-methylphenyl)cyclopropan-1-amine has a molecular weight of 207.27 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxy-2-methylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 84779618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).