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

C13H13BrFNO — CID 115839341

IUPAC2-(5-bromo-2-fluorophenyl)-1-(5-methylfuran-3-yl)ethanamine
SMILESCc1cc(C(N)Cc2cc(Br)ccc2F)co1
InChIInChI=1S/C13H13BrFNO/c1-8-4-10(7-17-8)13(16)6-9-5-11(14)2-3-12(9)15/h2-5,7,13H,6,16H2,1H3
InChIKeyJICWSMJGXYRLOV-UHFFFAOYSA-N
MW298.16 g/mol
LogP3.73
Rot. Bonds3

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

2-(5-bromo-2-fluorophenyl)-1-(5-methylfuran-3-yl)ethanamine (PubChem CID 115839341) has the molecular formula C13H13BrFNO and a molecular weight of 298.16 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(5-methylfuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(5-methylfuran-3-yl)ethanamine
PubChem CID115839341
Molecular FormulaC13H13BrFNO
Molecular Weight298.16 g/mol
Exact Mass297.02
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(5-methylfuran-3-yl)ethanamine
SMILESCc1cc(C(N)Cc2cc(Br)ccc2F)co1
InChIInChI=1S/C13H13BrFNO/c1-8-4-10(7-17-8)13(16)6-9-5-11(14)2-3-12(9)15/h2-5,7,13H,6,16H2,1H3
InChIKeyJICWSMJGXYRLOV-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 ≤ 500298.16
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanamine
CID 115839730
2-(5-bromo-2-fluorophenyl)-1-(4-bromo-3-methylphenyl)ethanamine
CID 115839764
2-(5-bromo-2-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 62607911
2-(5-bromo-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)ethanamine
CID 106848642
2-(5-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 115839770
2-(5-bromo-2-pyridinyl)-1-(5-methylfuran-3-yl)ethanamine
CID 105036214
2-(5-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279246
2-(4-bromo-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 115844396
1-(5-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine
CID 115839839
2-(5-bromo-2-fluorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine
CID 115839848
2-(2,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanol
CID 114982000
2-(5-bromo-2-fluorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine
CID 103405565

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(5-methylfuran-3-yl)ethanamine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(5-methylfuran-3-yl)ethanamine (CID 115839341) is 2-(5-bromo-2-fluorophenyl)-1-(5-methylfuran-3-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(5-methylfuran-3-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(5-methylfuran-3-yl)ethanamine is Cc1cc(C(N)Cc2cc(Br)ccc2F)co1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(5-methylfuran-3-yl)ethanamine?
The InChIKey is JICWSMJGXYRLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNO/c1-8-4-10(7-17-8)13(16)6-9-5-11(14)2-3-12(9)15/h2-5,7,13H,6,16H2,1H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(5-methylfuran-3-yl)ethanamine?
2-(5-bromo-2-fluorophenyl)-1-(5-methylfuran-3-yl)ethanamine has a molecular weight of 298.16 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-(5-bromo-2-fluorophenyl)-1-(5-methylfuran-3-yl)ethanamine is sourced from PubChem (CID 115839341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).