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

C11H14BrNO2 — CID 84809618

IUPAC1-(3-bromo-2,4-dimethoxyphenyl)cyclopropan-1-amine
SMILESCOc1ccc(C2(N)CC2)c(OC)c1Br
InChIInChI=1S/C11H14BrNO2/c1-14-8-4-3-7(11(13)5-6-11)10(15-2)9(8)12/h3-4H,5-6,13H2,1-2H3
InChIKeyLRENRGQPIHXMSL-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.41
Rot. Bonds3

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

1-(3-bromo-2,4-dimethoxyphenyl)cyclopropan-1-amine (PubChem CID 84809618) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 1-(3-bromo-2,4-dimethoxyphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2,4-dimethoxyphenyl)cyclopropan-1-amine
PubChem CID84809618
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name1-(3-bromo-2,4-dimethoxyphenyl)cyclopropan-1-amine
SMILESCOc1ccc(C2(N)CC2)c(OC)c1Br
InChIInChI=1S/C11H14BrNO2/c1-14-8-4-3-7(11(13)5-6-11)10(15-2)9(8)12/h3-4H,5-6,13H2,1-2H3
InChIKeyLRENRGQPIHXMSL-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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Related Compounds

1-(3-bromo-2,4-dimethoxyphenyl)-3,4-dimethylcyclohexan-1-amine
CID 103523023
[1-(3-bromo-2,4-dimethoxyphenyl)cyclopentyl]methanamine
CID 117499488
1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine
CID 117381460
1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 84787995
6-(1-aminocyclopropyl)-2,3-dimethoxyphenol
CID 117298428
1-(3-bromo-2-methoxy-4-methylphenyl)cyclohexan-1-amine
CID 117480335
1-(2,4-dimethoxy-3-methylphenyl)cyclobutan-1-amine
CID 117316614
1-(3-bromo-2-methoxyphenyl)cyclopropan-1-amine
CID 82622115
1-(3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine
CID 117342967
1-(7-methoxy-2,3-dihydro-1H-inden-4-yl)cyclopropan-1-amine
CID 84777430
1-(3,4-dimethoxy-2-methylphenyl)cyclohexan-1-amine
CID 117377333
1-(3-bromo-2,4-dimethoxyphenyl)-4,4-dimethylcycloheptan-1-ol
CID 103522872

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,4-dimethoxyphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(3-bromo-2,4-dimethoxyphenyl)cyclopropan-1-amine (CID 84809618) is 1-(3-bromo-2,4-dimethoxyphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3-bromo-2,4-dimethoxyphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(3-bromo-2,4-dimethoxyphenyl)cyclopropan-1-amine is COc1ccc(C2(N)CC2)c(OC)c1Br.
What is the InChIKey of 1-(3-bromo-2,4-dimethoxyphenyl)cyclopropan-1-amine?
The InChIKey is LRENRGQPIHXMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-14-8-4-3-7(11(13)5-6-11)10(15-2)9(8)12/h3-4H,5-6,13H2,1-2H3.
What are the key properties of 1-(3-bromo-2,4-dimethoxyphenyl)cyclopropan-1-amine?
1-(3-bromo-2,4-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-(3-bromo-2,4-dimethoxyphenyl)cyclopropan-1-amine is sourced from PubChem (CID 84809618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).