1-[1-(2-bromo-3,5-difluorophenyl)cyclopropyl]ethanamine

C11H12BrF2N — CID 117441728

IUPAC1-[1-(2-bromo-3,5-difluorophenyl)cyclopropyl]ethanamine
SMILESCC(N)C1(c2cc(F)cc(F)c2Br)CC1
InChIInChI=1S/C11H12BrF2N/c1-6(15)11(2-3-11)8-4-7(13)5-9(14)10(8)12/h4-6H,2-3,15H2,1H3
InChIKeyGFKAZOFKFFARSZ-UHFFFAOYSA-N
MW276.12 g/mol
LogP3.11
Rot. Bonds2

About 1-[1-(2-bromo-3,5-difluorophenyl)cyclopropyl]ethanamine

1-[1-(2-bromo-3,5-difluorophenyl)cyclopropyl]ethanamine (PubChem CID 117441728) has the molecular formula C11H12BrF2N and a molecular weight of 276.12 g/mol. Its IUPAC name is 1-[1-(2-bromo-3,5-difluorophenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-bromo-3,5-difluorophenyl)cyclopropyl]ethanamine
PubChem CID117441728
Molecular FormulaC11H12BrF2N
Molecular Weight276.12 g/mol
Exact Mass275.01
IUPAC Name1-[1-(2-bromo-3,5-difluorophenyl)cyclopropyl]ethanamine
SMILESCC(N)C1(c2cc(F)cc(F)c2Br)CC1
InChIInChI=1S/C11H12BrF2N/c1-6(15)11(2-3-11)8-4-7(13)5-9(14)10(8)12/h4-6H,2-3,15H2,1H3
InChIKeyGFKAZOFKFFARSZ-UHFFFAOYSA-N
XLogP3.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2-bromo-3-fluoro-5-methylphenyl)cyclopropyl]ethanamine
CID 117432884
1-[1-(2-bromo-3-fluorophenyl)cyclopropyl]ethanamine
CID 117398469
1-[1-(5-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117465007
1-[1-(6-fluoro-2,3-dihydro-1H-inden-5-yl)cyclopropyl]ethanamine
CID 117312920
2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-4-fluorophenol
CID 117331542
1-(2-bromo-3,5-difluorophenyl)cyclopropan-1-ol
CID 117375066
1-[1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117382007
1-[1-(4-fluoro-2-methylphenyl)cyclopropyl]ethanamine
CID 117283964
1-[1-(2,3-difluoro-5-methylphenyl)cyclopropyl]ethanamine
CID 117301565
2-[1-(1-aminoethyl)cyclopropyl]-4-fluoro-N,N-dimethylaniline
CID 117318626
2-[1-(1-aminoethyl)cyclopropyl]-3-bromo-4-fluoro-6-methoxyphenol
CID 117489178
1-[1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117465009

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromo-3,5-difluorophenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(2-bromo-3,5-difluorophenyl)cyclopropyl]ethanamine (CID 117441728) is 1-[1-(2-bromo-3,5-difluorophenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(2-bromo-3,5-difluorophenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(2-bromo-3,5-difluorophenyl)cyclopropyl]ethanamine is CC(N)C1(c2cc(F)cc(F)c2Br)CC1.
What is the InChIKey of 1-[1-(2-bromo-3,5-difluorophenyl)cyclopropyl]ethanamine?
The InChIKey is GFKAZOFKFFARSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2N/c1-6(15)11(2-3-11)8-4-7(13)5-9(14)10(8)12/h4-6H,2-3,15H2,1H3.
What are the key properties of 1-[1-(2-bromo-3,5-difluorophenyl)cyclopropyl]ethanamine?
1-[1-(2-bromo-3,5-difluorophenyl)cyclopropyl]ethanamine has a molecular weight of 276.12 g/mol, XLogP of 3.11, 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-3,5-difluorophenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 117441728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).