1-(2,3-dimethoxy-4,5-dimethylphenyl)cyclopropan-1-amine

C13H19NO2 — CID 84788006

IUPAC1-(2,3-dimethoxy-4,5-dimethylphenyl)cyclopropan-1-amine
SMILESCOc1c(C2(N)CC2)cc(C)c(C)c1OC
InChIInChI=1S/C13H19NO2/c1-8-7-10(13(14)5-6-13)12(16-4)11(15-3)9(8)2/h7H,5-6,14H2,1-4H3
InChIKeyUGFPFOSJLAKYST-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.27
Rot. Bonds3

About 1-(2,3-dimethoxy-4,5-dimethylphenyl)cyclopropan-1-amine

1-(2,3-dimethoxy-4,5-dimethylphenyl)cyclopropan-1-amine (PubChem CID 84788006) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(2,3-dimethoxy-4,5-dimethylphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(2,3-dimethoxy-4,5-dimethylphenyl)cyclopropan-1-amine
PubChem CID84788006
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(2,3-dimethoxy-4,5-dimethylphenyl)cyclopropan-1-amine
SMILESCOc1c(C2(N)CC2)cc(C)c(C)c1OC
InChIInChI=1S/C13H19NO2/c1-8-7-10(13(14)5-6-13)12(16-4)11(15-3)9(8)2/h7H,5-6,14H2,1-4H3
InChIKeyUGFPFOSJLAKYST-UHFFFAOYSA-N
XLogP2.27
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-aminocyclopropyl)-2-methoxy-5,6-dimethylphenol
CID 117296160
4-(1-aminocyclopropyl)-2-fluoro-3-methoxy-6-methylphenol
CID 84781666
4-(1-aminocyclopropyl)-2-chloro-3-methoxy-6-methylphenol
CID 84791831
1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclopropan-1-amine
CID 84792591
1-(2-methoxy-3,4,6-trimethylphenyl)cyclobutan-1-amine
CID 117112931
1-(2,3-dimethoxy-5,6-dimethylphenyl)cyclopropan-1-amine
CID 117316555
1-(2-methoxy-3,4-dimethylphenyl)cycloheptan-1-amine
CID 103432757
6-(1-aminocyclopropyl)-3,4-dimethylbenzene-1,2-diol
CID 117283660
1-(5-chloro-2-methoxy-3-methylphenyl)cyclobutan-1-amine
CID 117324614
1-(5-bromo-2-methoxy-3-methylphenyl)cyclohexan-1-amine
CID 117480330
6-(1-aminocyclopropyl)-4-methoxy-2,3-dimethylphenol
CID 117296164
1-(5-chloro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine
CID 84790711

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxy-4,5-dimethylphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(2,3-dimethoxy-4,5-dimethylphenyl)cyclopropan-1-amine (CID 84788006) is 1-(2,3-dimethoxy-4,5-dimethylphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(2,3-dimethoxy-4,5-dimethylphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(2,3-dimethoxy-4,5-dimethylphenyl)cyclopropan-1-amine is COc1c(C2(N)CC2)cc(C)c(C)c1OC.
What is the InChIKey of 1-(2,3-dimethoxy-4,5-dimethylphenyl)cyclopropan-1-amine?
The InChIKey is UGFPFOSJLAKYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-8-7-10(13(14)5-6-13)12(16-4)11(15-3)9(8)2/h7H,5-6,14H2,1-4H3.
What are the key properties of 1-(2,3-dimethoxy-4,5-dimethylphenyl)cyclopropan-1-amine?
1-(2,3-dimethoxy-4,5-dimethylphenyl)cyclopropan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxy-4,5-dimethylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 84788006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).