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

C11H14BrNO2 — CID 84809508

IUPAC1-(2-bromo-4,6-dimethoxyphenyl)cyclopropan-1-amine
SMILESCOc1cc(Br)c(C2(N)CC2)c(OC)c1
InChIInChI=1S/C11H14BrNO2/c1-14-7-5-8(12)10(9(6-7)15-2)11(13)3-4-11/h5-6H,3-4,13H2,1-2H3
InChIKeyDWBNFYLULGPCSR-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.41
Rot. Bonds3

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

1-(2-bromo-4,6-dimethoxyphenyl)cyclopropan-1-amine (PubChem CID 84809508) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 1-(2-bromo-4,6-dimethoxyphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-4,6-dimethoxyphenyl)cyclopropan-1-amine
PubChem CID84809508
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name1-(2-bromo-4,6-dimethoxyphenyl)cyclopropan-1-amine
SMILESCOc1cc(Br)c(C2(N)CC2)c(OC)c1
InChIInChI=1S/C11H14BrNO2/c1-14-7-5-8(12)10(9(6-7)15-2)11(13)3-4-11/h5-6H,3-4,13H2,1-2H3
InChIKeyDWBNFYLULGPCSR-UHFFFAOYSA-N
XLogP2.41
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,6-dimethoxyphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(2-bromo-4,6-dimethoxyphenyl)cyclopropan-1-amine (CID 84809508) is 1-(2-bromo-4,6-dimethoxyphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(2-bromo-4,6-dimethoxyphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(2-bromo-4,6-dimethoxyphenyl)cyclopropan-1-amine is COc1cc(Br)c(C2(N)CC2)c(OC)c1.
What is the InChIKey of 1-(2-bromo-4,6-dimethoxyphenyl)cyclopropan-1-amine?
The InChIKey is DWBNFYLULGPCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-14-7-5-8(12)10(9(6-7)15-2)11(13)3-4-11/h5-6H,3-4,13H2,1-2H3.
What are the key properties of 1-(2-bromo-4,6-dimethoxyphenyl)cyclopropan-1-amine?
1-(2-bromo-4,6-dimethoxyphenyl)cyclopropan-1-amine has a molecular weight of 272.14 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,6-dimethoxyphenyl)cyclopropan-1-amine is sourced from PubChem (CID 84809508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).