1-(4-bromo-7-methoxy-1-benzofuran-5-yl)cyclopropan-1-amine

C12H12BrNO2 — CID 117452995

IUPAC1-(4-bromo-7-methoxy-1-benzofuran-5-yl)cyclopropan-1-amine
SMILESCOc1cc(C2(N)CC2)c(Br)c2ccoc12
InChIInChI=1S/C12H12BrNO2/c1-15-9-6-8(12(14)3-4-12)10(13)7-2-5-16-11(7)9/h2,5-6H,3-4,14H2,1H3
InChIKeyFXLMNFBCJMKYNJ-UHFFFAOYSA-N
MW282.14 g/mol
LogP3.15
Rot. Bonds2

About 1-(4-bromo-7-methoxy-1-benzofuran-5-yl)cyclopropan-1-amine

1-(4-bromo-7-methoxy-1-benzofuran-5-yl)cyclopropan-1-amine (PubChem CID 117452995) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is 1-(4-bromo-7-methoxy-1-benzofuran-5-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-7-methoxy-1-benzofuran-5-yl)cyclopropan-1-amine
PubChem CID117452995
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name1-(4-bromo-7-methoxy-1-benzofuran-5-yl)cyclopropan-1-amine
SMILESCOc1cc(C2(N)CC2)c(Br)c2ccoc12
InChIInChI=1S/C12H12BrNO2/c1-15-9-6-8(12(14)3-4-12)10(13)7-2-5-16-11(7)9/h2,5-6H,3-4,14H2,1H3
InChIKeyFXLMNFBCJMKYNJ-UHFFFAOYSA-N
XLogP3.15
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-7-methoxy-1-benzofuran-5-yl)-2-methylpyrrolidine
CID 117494831
1-(4-bromo-7-methoxy-1-benzofuran-5-yl)ethanamine
CID 117428275
3-(4-bromo-7-methoxy-1-benzofuran-5-yl)propan-1-amine
CID 117456968
1-(3-bromo-2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 84809618
4-(4-bromo-7-methoxy-1-benzofuran-5-yl)-1,2-oxazol-5-amine
CID 117493833
1-(4-chloro-7-methoxy-1-benzofuran-5-yl)cyclopropane-1-carboxylic acid
CID 117420629
2-[1-(4-chloro-7-methoxy-1-benzofuran-5-yl)cyclopropyl]acetic acid
CID 117450627
1-(4-bromo-2-methoxyphenyl)cyclohexan-1-amine
CID 117457081
6-(1-aminocyclopropyl)-4-methoxy-2,3-dimethylphenol
CID 117296164
1-(6-bromo-2-methoxynaphthalen-1-yl)cyclopropan-1-amine
CID 84814976
1-(2-bromo-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine
CID 84806376
1-(5-bromo-2-chloro-4-methoxyphenyl)cyclopropan-1-amine
CID 84811063

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-7-methoxy-1-benzofuran-5-yl)cyclopropan-1-amine?
The IUPAC name of 1-(4-bromo-7-methoxy-1-benzofuran-5-yl)cyclopropan-1-amine (CID 117452995) is 1-(4-bromo-7-methoxy-1-benzofuran-5-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(4-bromo-7-methoxy-1-benzofuran-5-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(4-bromo-7-methoxy-1-benzofuran-5-yl)cyclopropan-1-amine is COc1cc(C2(N)CC2)c(Br)c2ccoc12.
What is the InChIKey of 1-(4-bromo-7-methoxy-1-benzofuran-5-yl)cyclopropan-1-amine?
The InChIKey is FXLMNFBCJMKYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c1-15-9-6-8(12(14)3-4-12)10(13)7-2-5-16-11(7)9/h2,5-6H,3-4,14H2,1H3.
What are the key properties of 1-(4-bromo-7-methoxy-1-benzofuran-5-yl)cyclopropan-1-amine?
1-(4-bromo-7-methoxy-1-benzofuran-5-yl)cyclopropan-1-amine has a molecular weight of 282.14 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-7-methoxy-1-benzofuran-5-yl)cyclopropan-1-amine is sourced from PubChem (CID 117452995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).