1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)cyclopropan-1-amine

C11H13BrClNO2 — CID 117491804

IUPAC1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)cyclopropan-1-amine
SMILESCOc1c(Br)cc(Cl)c(C2(N)CC2)c1OC
InChIInChI=1S/C11H13BrClNO2/c1-15-9-6(12)5-7(13)8(10(9)16-2)11(14)3-4-11/h5H,3-4,14H2,1-2H3
InChIKeyIJSXBNDIUAYEGH-UHFFFAOYSA-N
MW306.59 g/mol
LogP3.07
Rot. Bonds3

About 1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)cyclopropan-1-amine

1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)cyclopropan-1-amine (PubChem CID 117491804) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is 1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)cyclopropan-1-amine
PubChem CID117491804
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC Name1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)cyclopropan-1-amine
SMILESCOc1c(Br)cc(Cl)c(C2(N)CC2)c1OC
InChIInChI=1S/C11H13BrClNO2/c1-15-9-6(12)5-7(13)8(10(9)16-2)11(14)3-4-11/h5H,3-4,14H2,1-2H3
InChIKeyIJSXBNDIUAYEGH-UHFFFAOYSA-N
XLogP3.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2,5,6-trimethoxyphenyl)cyclopropan-1-amine
CID 117486233
1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopropan-1-amine
CID 84801185
1-(5-chloro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine
CID 84790711
1-(3-chloro-2,6-dimethoxyphenyl)cyclopropan-1-amine
CID 117327759
1-(3-chloro-2-methoxy-4,6-dimethylphenyl)cyclopropan-1-amine
CID 84790596
1-(3-bromo-4,5-dimethoxyphenyl)cyclopropan-1-amine
CID 84809517
1-(3-bromo-2-methoxy-6-methylphenyl)cyclopropan-1-amine
CID 84805227
1-(6-bromo-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine
CID 117489156
3-(1-aminocyclopropyl)-5-bromo-2-methoxy-4-methylphenol
CID 117432726
1-(6-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropan-1-amine
CID 117499483
1-(5-bromo-2,3-difluoro-6-methoxyphenyl)cyclobutan-1-amine
CID 117471538
1-(5-bromo-2-chloro-4-methoxyphenyl)cyclopropan-1-amine
CID 84811063

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)cyclopropan-1-amine (CID 117491804) is 1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)cyclopropan-1-amine is COc1c(Br)cc(Cl)c(C2(N)CC2)c1OC.
What is the InChIKey of 1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)cyclopropan-1-amine?
The InChIKey is IJSXBNDIUAYEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/c1-15-9-6(12)5-7(13)8(10(9)16-2)11(14)3-4-11/h5H,3-4,14H2,1-2H3.
What are the key properties of 1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)cyclopropan-1-amine?
1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)cyclopropan-1-amine has a molecular weight of 306.59 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)cyclopropan-1-amine is sourced from PubChem (CID 117491804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).