1-[1-(2-bromo-3-fluoro-5-methylphenyl)cyclopropyl]ethanamine

C12H15BrFN — CID 117432884

IUPAC1-[1-(2-bromo-3-fluoro-5-methylphenyl)cyclopropyl]ethanamine
SMILESCc1cc(F)c(Br)c(C2(C(C)N)CC2)c1
InChIInChI=1S/C12H15BrFN/c1-7-5-9(11(13)10(14)6-7)12(3-4-12)8(2)15/h5-6,8H,3-4,15H2,1-2H3
InChIKeyXHLSPVBNEMHXDR-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.28
Rot. Bonds2

About 1-[1-(2-bromo-3-fluoro-5-methylphenyl)cyclopropyl]ethanamine

1-[1-(2-bromo-3-fluoro-5-methylphenyl)cyclopropyl]ethanamine (PubChem CID 117432884) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is 1-[1-(2-bromo-3-fluoro-5-methylphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-bromo-3-fluoro-5-methylphenyl)cyclopropyl]ethanamine
PubChem CID117432884
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC Name1-[1-(2-bromo-3-fluoro-5-methylphenyl)cyclopropyl]ethanamine
SMILESCc1cc(F)c(Br)c(C2(C(C)N)CC2)c1
InChIInChI=1S/C12H15BrFN/c1-7-5-9(11(13)10(14)6-7)12(3-4-12)8(2)15/h5-6,8H,3-4,15H2,1-2H3
InChIKeyXHLSPVBNEMHXDR-UHFFFAOYSA-N
XLogP3.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(2-bromo-3,5-difluorophenyl)cyclopropyl]ethanamine
CID 117441728
1-[1-(2,3-difluoro-5-methylphenyl)cyclopropyl]ethanamine
CID 117301565
1-[1-(2-bromo-3-fluorophenyl)cyclopropyl]ethanamine
CID 117398469
1-[1-(3,5-dimethylphenyl)cyclopropyl]ethanamine
CID 131471469
1-[1-(2-bromo-4-methylphenyl)cyclopropyl]ethanamine
CID 117388136
1-[1-(6-fluoro-2,3-dihydro-1H-inden-5-yl)cyclopropyl]ethanamine
CID 117312920
2-[1-(1-aminoethyl)cyclopropyl]-3-bromo-4-fluoro-6-methoxyphenol
CID 117489178
1-[1-(5-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117465007
1-[1-(2-bromo-6-fluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 117432880
5-[1-(1-aminoethyl)cyclopropyl]-4-fluoro-2-methylphenol
CID 117298840
1-[1-(2,4-difluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 117301571
1-[1-(4-fluoro-2-methylphenyl)cyclopropyl]ethanamine
CID 117283964

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromo-3-fluoro-5-methylphenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(2-bromo-3-fluoro-5-methylphenyl)cyclopropyl]ethanamine (CID 117432884) is 1-[1-(2-bromo-3-fluoro-5-methylphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(2-bromo-3-fluoro-5-methylphenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(2-bromo-3-fluoro-5-methylphenyl)cyclopropyl]ethanamine is Cc1cc(F)c(Br)c(C2(C(C)N)CC2)c1.
What is the InChIKey of 1-[1-(2-bromo-3-fluoro-5-methylphenyl)cyclopropyl]ethanamine?
The InChIKey is XHLSPVBNEMHXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c1-7-5-9(11(13)10(14)6-7)12(3-4-12)8(2)15/h5-6,8H,3-4,15H2,1-2H3.
What are the key properties of 1-[1-(2-bromo-3-fluoro-5-methylphenyl)cyclopropyl]ethanamine?
1-[1-(2-bromo-3-fluoro-5-methylphenyl)cyclopropyl]ethanamine has a molecular weight of 272.16 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bromo-3-fluoro-5-methylphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 117432884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).