2-(2-bromo-5-fluorophenyl)-1-(3-methylfuran-2-yl)ethanamine

C13H13BrFNO — CID 113455206

IUPAC2-(2-bromo-5-fluorophenyl)-1-(3-methylfuran-2-yl)ethanamine
SMILESCc1ccoc1C(N)Cc1cc(F)ccc1Br
InChIInChI=1S/C13H13BrFNO/c1-8-4-5-17-13(8)12(16)7-9-6-10(15)2-3-11(9)14/h2-6,12H,7,16H2,1H3
InChIKeyFLKMTZDDWYUXSZ-UHFFFAOYSA-N
MW298.15 g/mol
LogP3.73
Rot. Bonds3

About 2-(2-bromo-5-fluorophenyl)-1-(3-methylfuran-2-yl)ethanamine

2-(2-bromo-5-fluorophenyl)-1-(3-methylfuran-2-yl)ethanamine (PubChem CID 113455206) has the molecular formula C13H13BrFNO and a molecular weight of 298.15 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-1-(3-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-1-(3-methylfuran-2-yl)ethanamine
PubChem CID113455206
Molecular FormulaC13H13BrFNO
Molecular Weight298.15 g/mol
Exact Mass297.02
IUPAC Name2-(2-bromo-5-fluorophenyl)-1-(3-methylfuran-2-yl)ethanamine
SMILESCc1ccoc1C(N)Cc1cc(F)ccc1Br
InChIInChI=1S/C13H13BrFNO/c1-8-4-5-17-13(8)12(16)7-9-6-10(15)2-3-11(9)14/h2-6,12H,7,16H2,1H3
InChIKeyFLKMTZDDWYUXSZ-UHFFFAOYSA-N
XLogP3.73
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.15
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-bromo-5-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]hydrazine
CID 105269473
2-(2-bromo-5-fluorophenyl)-1-(2-methylphenyl)ethanamine
CID 62600298
2-(2-bromo-5-fluorophenyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 115843760
[2-(2-bromo-4-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]hydrazine
CID 105269345
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
2-(2-bromo-5-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine
CID 115843687
2-(3-bromo-4-methoxyphenyl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804312
1-(2-bromo-5-fluorophenyl)pentan-2-amine
CID 62601078
2-(2-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 115843812
2-(3-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804618
4-[1-amino-2-(2-bromo-5-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 105136786
2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 115843576

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(3-methylfuran-2-yl)ethanamine?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(3-methylfuran-2-yl)ethanamine (CID 113455206) is 2-(2-bromo-5-fluorophenyl)-1-(3-methylfuran-2-yl)ethanamine.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-1-(3-methylfuran-2-yl)ethanamine?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-1-(3-methylfuran-2-yl)ethanamine is Cc1ccoc1C(N)Cc1cc(F)ccc1Br.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-1-(3-methylfuran-2-yl)ethanamine?
The InChIKey is FLKMTZDDWYUXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNO/c1-8-4-5-17-13(8)12(16)7-9-6-10(15)2-3-11(9)14/h2-6,12H,7,16H2,1H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-1-(3-methylfuran-2-yl)ethanamine?
2-(2-bromo-5-fluorophenyl)-1-(3-methylfuran-2-yl)ethanamine has a molecular weight of 298.15 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-1-(3-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 113455206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).