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

C15H17BrFNO — CID 107626829

IUPAC1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1ccc(-c2cc(F)ccc2Br)o1
InChIInChI=1S/C15H17BrFNO/c1-3-18-10(2)8-12-5-7-15(19-12)13-9-11(17)4-6-14(13)16/h4-7,9-10,18H,3,8H2,1-2H3
InChIKeyMGFOCSFNTHYKFY-UHFFFAOYSA-N
MW326.21 g/mol
LogP4.39
Rot. Bonds5

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

1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine (PubChem CID 107626829) 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-2-amine.

Molecular Properties

Compound Name1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
PubChem CID107626829
Molecular FormulaC15H17BrFNO
Molecular Weight326.21 g/mol
Exact Mass325.05
IUPAC Name1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1ccc(-c2cc(F)ccc2Br)o1
InChIInChI=1S/C15H17BrFNO/c1-3-18-10(2)8-12-5-7-15(19-12)13-9-11(17)4-6-14(13)16/h4-7,9-10,18H,3,8H2,1-2H3
InChIKeyMGFOCSFNTHYKFY-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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Related Compounds

1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]propan-2-ol
CID 107627214
1-[5-(4-bromo-2,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 107615154
1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 107626833
1-[5-(5-chloro-2-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 63084110
N-ethyl-1-[5-(2,3,5,6-tetrafluorophenyl)furan-2-yl]propan-2-amine
CID 107645719
1-[5-(2-bromo-5-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 81274606
1-[5-(2,6-dibromo-4-methylphenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 63399061
N-ethyl-1-[5-(2,4,5-trichlorophenyl)furan-2-yl]propan-2-amine
CID 63398766
1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 107577105
N-propyl-1-[5-(2,3,5-trifluorophenyl)furan-2-yl]propan-2-amine
CID 63085650
1-[5-(2,4-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63084755
N-ethyl-1-[5-(2-ethylphenyl)furan-2-yl]propan-2-amine
CID 63085626

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine?
The IUPAC name of 1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine (CID 107626829) is 1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine.
What is the SMILES notation for 1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine?
The canonical SMILES for 1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine is CCNC(C)Cc1ccc(-c2cc(F)ccc2Br)o1.
What is the InChIKey of 1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine?
The InChIKey is MGFOCSFNTHYKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNO/c1-3-18-10(2)8-12-5-7-15(19-12)13-9-11(17)4-6-14(13)16/h4-7,9-10,18H,3,8H2,1-2H3.
What are the key properties of 1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine?
1-[5-(2-bromo-5-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-5-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine is sourced from PubChem (CID 107626829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).