1-[5-(3-bromo-4-fluorophenyl)furan-2-yl]propan-1-amine

C13H13BrFNO — CID 104780350

IUPAC1-[5-(3-bromo-4-fluorophenyl)furan-2-yl]propan-1-amine
SMILESCCC(N)c1ccc(-c2ccc(F)c(Br)c2)o1
InChIInChI=1S/C13H13BrFNO/c1-2-11(16)13-6-5-12(17-13)8-3-4-10(15)9(14)7-8/h3-7,11H,2,16H2,1H3
InChIKeyKRAWYZNFXNULIH-UHFFFAOYSA-N
MW298.16 g/mol
LogP4.26
Rot. Bonds3

About 1-[5-(3-bromo-4-fluorophenyl)furan-2-yl]propan-1-amine

1-[5-(3-bromo-4-fluorophenyl)furan-2-yl]propan-1-amine (PubChem CID 104780350) has the molecular formula C13H13BrFNO and a molecular weight of 298.16 g/mol. Its IUPAC name is 1-[5-(3-bromo-4-fluorophenyl)furan-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(3-bromo-4-fluorophenyl)furan-2-yl]propan-1-amine
PubChem CID104780350
Molecular FormulaC13H13BrFNO
Molecular Weight298.16 g/mol
Exact Mass297.02
IUPAC Name1-[5-(3-bromo-4-fluorophenyl)furan-2-yl]propan-1-amine
SMILESCCC(N)c1ccc(-c2ccc(F)c(Br)c2)o1
InChIInChI=1S/C13H13BrFNO/c1-2-11(16)13-6-5-12(17-13)8-3-4-10(15)9(14)7-8/h3-7,11H,2,16H2,1H3
InChIKeyKRAWYZNFXNULIH-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-yl]propan-1-amine
CID 64855524
1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]propan-1-amine
CID 62632947
1-[5-(3-fluoro-5-methylphenyl)furan-2-yl]propan-1-amine
CID 79050083
1-[5-(4-iodophenyl)furan-2-yl]propan-1-amine
CID 62632923
2-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 82802644
1-[5-(1-benzothiophen-5-yl)furan-2-yl]propan-1-amine
CID 65474156
1-[5-(3-bromo-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 114020283
1-[5-(2,3-difluorophenyl)furan-2-yl]propan-1-amine
CID 55097732
3-amino-3-[5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol
CID 170875053
1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 107952706
[5-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine
CID 82809820
1-(3-bromo-4-fluorophenyl)-3-ethylpentan-1-amine
CID 82922100

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-bromo-4-fluorophenyl)furan-2-yl]propan-1-amine?
The IUPAC name of 1-[5-(3-bromo-4-fluorophenyl)furan-2-yl]propan-1-amine (CID 104780350) is 1-[5-(3-bromo-4-fluorophenyl)furan-2-yl]propan-1-amine.
What is the SMILES notation for 1-[5-(3-bromo-4-fluorophenyl)furan-2-yl]propan-1-amine?
The canonical SMILES for 1-[5-(3-bromo-4-fluorophenyl)furan-2-yl]propan-1-amine is CCC(N)c1ccc(-c2ccc(F)c(Br)c2)o1.
What is the InChIKey of 1-[5-(3-bromo-4-fluorophenyl)furan-2-yl]propan-1-amine?
The InChIKey is KRAWYZNFXNULIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNO/c1-2-11(16)13-6-5-12(17-13)8-3-4-10(15)9(14)7-8/h3-7,11H,2,16H2,1H3.
What are the key properties of 1-[5-(3-bromo-4-fluorophenyl)furan-2-yl]propan-1-amine?
1-[5-(3-bromo-4-fluorophenyl)furan-2-yl]propan-1-amine has a molecular weight of 298.16 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-bromo-4-fluorophenyl)furan-2-yl]propan-1-amine is sourced from PubChem (CID 104780350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).