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

C15H17BrFNO — CID 55180738

IUPAC1-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1ccc(-c2ccc(F)cc2Br)o1
InChIInChI=1S/C15H17BrFNO/c1-3-18-10(2)8-12-5-7-15(19-12)13-6-4-11(17)9-14(13)16/h4-7,9-10,18H,3,8H2,1-2H3
InChIKeyFAGPFTXBJWZAKL-UHFFFAOYSA-N
MW326.21 g/mol
LogP4.39
Rot. Bonds5

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

1-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine (PubChem CID 55180738) has the molecular formula C15H17BrFNO and a molecular weight of 326.21 g/mol. Its IUPAC name is 1-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
PubChem CID55180738
Molecular FormulaC15H17BrFNO
Molecular Weight326.21 g/mol
Exact Mass325.05
IUPAC Name1-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1ccc(-c2ccc(F)cc2Br)o1
InChIInChI=1S/C15H17BrFNO/c1-3-18-10(2)8-12-5-7-15(19-12)13-6-4-11(17)9-14(13)16/h4-7,9-10,18H,3,8H2,1-2H3
InChIKeyFAGPFTXBJWZAKL-UHFFFAOYSA-N
XLogP4.39
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine?
The IUPAC name of 1-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine (CID 55180738) is 1-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine.
What is the SMILES notation for 1-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine?
The canonical SMILES for 1-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine is CCNC(C)Cc1ccc(-c2ccc(F)cc2Br)o1.
What is the InChIKey of 1-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine?
The InChIKey is FAGPFTXBJWZAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNO/c1-3-18-10(2)8-12-5-7-15(19-12)13-6-4-11(17)9-14(13)16/h4-7,9-10,18H,3,8H2,1-2H3.
What are the key properties of 1-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine?
1-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine has a molecular weight of 326.21 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine is sourced from PubChem (CID 55180738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).