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

C13H13BrFNO — CID 63084598

IUPAC1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]propan-2-amine
SMILESCC(N)Cc1ccc(-c2ccc(Br)cc2F)o1
InChIInChI=1S/C13H13BrFNO/c1-8(16)6-10-3-5-13(17-10)11-4-2-9(14)7-12(11)15/h2-5,7-8H,6,16H2,1H3
InChIKeyFMJMPTWOGUQXCS-UHFFFAOYSA-N
MW298.15 g/mol
LogP3.74
Rot. Bonds3

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

1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]propan-2-amine (PubChem CID 63084598) has the molecular formula C13H13BrFNO and a molecular weight of 298.15 g/mol. Its IUPAC name is 1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]propan-2-amine
PubChem CID63084598
Molecular FormulaC13H13BrFNO
Molecular Weight298.15 g/mol
Exact Mass297.02
IUPAC Name1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]propan-2-amine
SMILESCC(N)Cc1ccc(-c2ccc(Br)cc2F)o1
InChIInChI=1S/C13H13BrFNO/c1-8(16)6-10-3-5-13(17-10)11-4-2-9(14)7-12(11)15/h2-5,7-8H,6,16H2,1H3
InChIKeyFMJMPTWOGUQXCS-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]propan-2-amine?
The IUPAC name of 1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]propan-2-amine (CID 63084598) is 1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]propan-2-amine.
What is the SMILES notation for 1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]propan-2-amine?
The canonical SMILES for 1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]propan-2-amine is CC(N)Cc1ccc(-c2ccc(Br)cc2F)o1.
What is the InChIKey of 1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]propan-2-amine?
The InChIKey is FMJMPTWOGUQXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNO/c1-8(16)6-10-3-5-13(17-10)11-4-2-9(14)7-12(11)15/h2-5,7-8H,6,16H2,1H3.
What are the key properties of 1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]propan-2-amine?
1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]propan-2-amine has a molecular weight of 298.15 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]propan-2-amine is sourced from PubChem (CID 63084598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).