1-[1-(2-bromo-3-fluorophenyl)cyclopropyl]ethanamine

C11H13BrFN — CID 117398469

IUPAC1-[1-(2-bromo-3-fluorophenyl)cyclopropyl]ethanamine
SMILESCC(N)C1(c2cccc(F)c2Br)CC1
InChIInChI=1S/C11H13BrFN/c1-7(14)11(5-6-11)8-3-2-4-9(13)10(8)12/h2-4,7H,5-6,14H2,1H3
InChIKeyFEQVUFIDOQJHTJ-UHFFFAOYSA-N
MW258.13 g/mol
LogP2.97
Rot. Bonds2

About 1-[1-(2-bromo-3-fluorophenyl)cyclopropyl]ethanamine

1-[1-(2-bromo-3-fluorophenyl)cyclopropyl]ethanamine (PubChem CID 117398469) has the molecular formula C11H13BrFN and a molecular weight of 258.13 g/mol. Its IUPAC name is 1-[1-(2-bromo-3-fluorophenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-bromo-3-fluorophenyl)cyclopropyl]ethanamine
PubChem CID117398469
Molecular FormulaC11H13BrFN
Molecular Weight258.13 g/mol
Exact Mass257.02
IUPAC Name1-[1-(2-bromo-3-fluorophenyl)cyclopropyl]ethanamine
SMILESCC(N)C1(c2cccc(F)c2Br)CC1
InChIInChI=1S/C11H13BrFN/c1-7(14)11(5-6-11)8-3-2-4-9(13)10(8)12/h2-4,7H,5-6,14H2,1H3
InChIKeyFEQVUFIDOQJHTJ-UHFFFAOYSA-N
XLogP2.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-[2-(difluoromethyl)-3-fluorophenyl]cyclopropyl]ethanamine
CID 117330234
2-[1-(1-aminoethyl)cyclopropyl]-6-fluoro-N,N-dimethylaniline
CID 117118396
1-[1-(2-bromo-3,5-difluorophenyl)cyclopropyl]ethanamine
CID 117441728
1-[1-(2-bromo-6-fluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 117432880
1-[1-(2-bromo-3-fluoro-5-methylphenyl)cyclopropyl]ethanamine
CID 117432884
1-[1-(3-bromo-2-methylphenyl)cyclopropyl]ethanamine
CID 117388142
1-(2-bromo-3-fluorophenyl)cyclopropan-1-amine
CID 84736108
1-[1-[2-bromo-3-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine
CID 117495028
1-[1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117465009
1-[1-(3-bromo-2H-indazol-7-yl)cyclopropyl]ethanamine
CID 117449532
1-[1-(6-fluoro-2,3-dihydro-1H-inden-5-yl)cyclopropyl]ethanamine
CID 117312920
1-[1-(2,4-difluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 117301571

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromo-3-fluorophenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(2-bromo-3-fluorophenyl)cyclopropyl]ethanamine (CID 117398469) is 1-[1-(2-bromo-3-fluorophenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(2-bromo-3-fluorophenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(2-bromo-3-fluorophenyl)cyclopropyl]ethanamine is CC(N)C1(c2cccc(F)c2Br)CC1.
What is the InChIKey of 1-[1-(2-bromo-3-fluorophenyl)cyclopropyl]ethanamine?
The InChIKey is FEQVUFIDOQJHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN/c1-7(14)11(5-6-11)8-3-2-4-9(13)10(8)12/h2-4,7H,5-6,14H2,1H3.
What are the key properties of 1-[1-(2-bromo-3-fluorophenyl)cyclopropyl]ethanamine?
1-[1-(2-bromo-3-fluorophenyl)cyclopropyl]ethanamine has a molecular weight of 258.13 g/mol, XLogP of 2.97, 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-fluorophenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 117398469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).