1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclopropan-1-amine

C11H13F2NO2 — CID 84792591

IUPAC1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclopropan-1-amine
SMILESCOc1c(C2(N)CC2)cc(F)c(F)c1OC
InChIInChI=1S/C11H13F2NO2/c1-15-9-6(11(14)3-4-11)5-7(12)8(13)10(9)16-2/h5H,3-4,14H2,1-2H3
InChIKeyUCCYLTMOLXIAKT-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.93
Rot. Bonds3

About 1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclopropan-1-amine

1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclopropan-1-amine (PubChem CID 84792591) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is 1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclopropan-1-amine
PubChem CID84792591
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Name1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclopropan-1-amine
SMILESCOc1c(C2(N)CC2)cc(F)c(F)c1OC
InChIInChI=1S/C11H13F2NO2/c1-15-9-6(11(14)3-4-11)5-7(12)8(13)10(9)16-2/h5H,3-4,14H2,1-2H3
InChIKeyUCCYLTMOLXIAKT-UHFFFAOYSA-N
XLogP1.93
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3,5-difluoro-2-methoxyphenyl)cyclopropan-1-amine
CID 84811248
1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 84802916
1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine
CID 117403471
[1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
CID 117459551
4-(1-aminocyclopropyl)-2-fluoro-3-methoxy-6-methylphenol
CID 84781666
1-(2,3-dimethoxy-4,5-dimethylphenyl)cyclopropan-1-amine
CID 84788006
1-(5-chloro-3,4-difluoro-2-methoxyphenyl)cyclohexan-1-amine
CID 117441374
6-(1-aminocyclopropyl)-2,3,4-trifluorophenol
CID 84777063
[1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]methanamine
CID 84794179
1-(4,5-difluoro-2-methylphenyl)cyclopropan-1-amine
CID 84768959
1-[1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117364491
1-(2,5-difluoro-4-methoxyphenyl)cyclobutan-1-amine
CID 117303916

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclopropan-1-amine (CID 84792591) is 1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclopropan-1-amine is COc1c(C2(N)CC2)cc(F)c(F)c1OC.
What is the InChIKey of 1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclopropan-1-amine?
The InChIKey is UCCYLTMOLXIAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-15-9-6(11(14)3-4-11)5-7(12)8(13)10(9)16-2/h5H,3-4,14H2,1-2H3.
What are the key properties of 1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclopropan-1-amine?
1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclopropan-1-amine has a molecular weight of 229.23 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclopropan-1-amine is sourced from PubChem (CID 84792591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).