1-[1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropyl]ethanamine

C12H15BrFNO — CID 117465009

IUPAC1-[1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropyl]ethanamine
SMILESCOc1ccc(C2(C(C)N)CC2)c(F)c1Br
InChIInChI=1S/C12H15BrFNO/c1-7(15)12(5-6-12)8-3-4-9(16-2)10(13)11(8)14/h3-4,7H,5-6,15H2,1-2H3
InChIKeyOXMXWZVEHJMZLF-UHFFFAOYSA-N
MW288.16 g/mol
LogP2.98
Rot. Bonds3

About 1-[1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropyl]ethanamine

1-[1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropyl]ethanamine (PubChem CID 117465009) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 1-[1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropyl]ethanamine
PubChem CID117465009
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name1-[1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropyl]ethanamine
SMILESCOc1ccc(C2(C(C)N)CC2)c(F)c1Br
InChIInChI=1S/C12H15BrFNO/c1-7(15)12(5-6-12)8-3-4-9(16-2)10(13)11(8)14/h3-4,7H,5-6,15H2,1-2H3
InChIKeyOXMXWZVEHJMZLF-UHFFFAOYSA-N
XLogP2.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117497496
1-[1-(5-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117465007
1-[1-(3-bromo-2-methoxy-4-methylphenyl)cyclopropyl]ethanamine
CID 117457314
1-[1-(2-methoxy-5-methylsulfanylphenyl)cyclopropyl]ethanamine
CID 117347796
1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117466659
4-[1-(1-aminoethyl)cyclopropyl]-2,3-difluorophenol
CID 117303739
1-[1-(2,4-difluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 117301571
1-[1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropyl]ethanamine
CID 117377084
1-[1-(3-bromo-2,5-dimethoxy-4-methylphenyl)cyclopropyl]ethanamine
CID 117499657
1-[1-(2-bromo-3-fluorophenyl)cyclopropyl]ethanamine
CID 117398469
2-[1-(1-aminoethyl)cyclopropyl]-3-bromo-4-fluoro-6-methoxyphenol
CID 117489178
1-[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117361282

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropyl]ethanamine (CID 117465009) is 1-[1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropyl]ethanamine is COc1ccc(C2(C(C)N)CC2)c(F)c1Br.
What is the InChIKey of 1-[1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropyl]ethanamine?
The InChIKey is OXMXWZVEHJMZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c1-7(15)12(5-6-12)8-3-4-9(16-2)10(13)11(8)14/h3-4,7H,5-6,15H2,1-2H3.
What are the key properties of 1-[1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropyl]ethanamine?
1-[1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropyl]ethanamine has a molecular weight of 288.16 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 117465009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).