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

C15H17BrFNO — CID 107626833

IUPAC1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccc(-c2cc(F)ccc2Br)o1
InChIInChI=1S/C15H17BrFNO/c1-3-13(18-4-2)15-8-7-14(19-15)11-9-10(17)5-6-12(11)16/h5-9,13,18H,3-4H2,1-2H3
InChIKeyCBQNPKGJGVZBML-UHFFFAOYSA-N
MW326.21 g/mol
LogP4.91
Rot. Bonds5

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

1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-1-amine (PubChem CID 107626833) has the molecular formula C15H17BrFNO and a molecular weight of 326.21 g/mol. Its IUPAC name is 1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-1-amine
PubChem CID107626833
Molecular FormulaC15H17BrFNO
Molecular Weight326.21 g/mol
Exact Mass325.05
IUPAC Name1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccc(-c2cc(F)ccc2Br)o1
InChIInChI=1S/C15H17BrFNO/c1-3-13(18-4-2)15-8-7-14(19-15)11-9-10(17)5-6-12(11)16/h5-9,13,18H,3-4H2,1-2H3
InChIKeyCBQNPKGJGVZBML-UHFFFAOYSA-N
XLogP4.91
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 ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 107626829
1-[5-(4-bromo-3-methylphenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 63398685
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(5-methylfuran-2-yl)ethanamine
CID 115843716
1-[5-(5-bromo-2-methylphenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 63398851
1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]ethanamine
CID 107626813
1-[5-(2,3-difluorophenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 62633461
1-[5-(2,4-difluorophenyl)furan-2-yl]-N-methylpropan-1-amine
CID 55097922
1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 63398591
1-[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]-N-propylpropan-1-amine
CID 107593416
N-ethyl-1-[5-(2-propylphenyl)furan-2-yl]propan-1-amine
CID 63398978
1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]propan-2-ol
CID 107627214
1-[5-(2-chloro-4-iodophenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 107607500

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-1-amine (CID 107626833) is 1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-1-amine is CCNC(CC)c1ccc(-c2cc(F)ccc2Br)o1.
What is the InChIKey of 1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-1-amine?
The InChIKey is CBQNPKGJGVZBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNO/c1-3-13(18-4-2)15-8-7-14(19-15)11-9-10(17)5-6-12(11)16/h5-9,13,18H,3-4H2,1-2H3.
What are the key properties of 1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-1-amine?
1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-1-amine has a molecular weight of 326.21 g/mol, XLogP of 4.91, 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-5-fluorophenyl)furan-2-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 107626833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).