1-[1-(5-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine

C12H15BrFNO — CID 117465007

IUPAC1-[1-(5-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
SMILESCOc1cc(F)c(Br)cc1C1(C(C)N)CC1
InChIInChI=1S/C12H15BrFNO/c1-7(15)12(3-4-12)8-5-9(13)10(14)6-11(8)16-2/h5-7H,3-4,15H2,1-2H3
InChIKeyGLBSTTNYDXBRQU-UHFFFAOYSA-N
MW288.16 g/mol
LogP2.98
Rot. Bonds3

About 1-[1-(5-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine

1-[1-(5-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine (PubChem CID 117465007) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 1-[1-(5-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(5-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
PubChem CID117465007
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name1-[1-(5-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
SMILESCOc1cc(F)c(Br)cc1C1(C(C)N)CC1
InChIInChI=1S/C12H15BrFNO/c1-7(15)12(3-4-12)8-5-9(13)10(14)6-11(8)16-2/h5-7H,3-4,15H2,1-2H3
InChIKeyGLBSTTNYDXBRQU-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-(5-chloro-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117361282
1-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117413676
1-[1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117465009
2-[1-(1-aminoethyl)cyclopropyl]-3-bromo-4-fluoro-6-methoxyphenol
CID 117489178
1-[1-(2-bromo-3,5-difluorophenyl)cyclopropyl]ethanamine
CID 117441728
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 103394303
1-[1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117497496
1-[1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117382007
1-[1-(2-methoxy-5-methylsulfanylphenyl)cyclopropyl]ethanamine
CID 117347796
1-[1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117364491
1-[1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117409100
1-[1-(3-bromo-2,5-dimethoxy-4-methylphenyl)cyclopropyl]ethanamine
CID 117499657

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(5-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine (CID 117465007) is 1-[1-(5-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(5-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(5-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine is COc1cc(F)c(Br)cc1C1(C(C)N)CC1.
What is the InChIKey of 1-[1-(5-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine?
The InChIKey is GLBSTTNYDXBRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c1-7(15)12(3-4-12)8-5-9(13)10(14)6-11(8)16-2/h5-7H,3-4,15H2,1-2H3.
What are the key properties of 1-[1-(5-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine?
1-[1-(5-bromo-4-fluoro-2-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-(5-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 117465007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).