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

C15H16BrF2NO — CID 107615154

IUPAC1-[5-(4-bromo-2,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1ccc(-c2cc(F)c(Br)cc2F)o1
InChIInChI=1S/C15H16BrF2NO/c1-3-19-9(2)6-10-4-5-15(20-10)11-7-14(18)12(16)8-13(11)17/h4-5,7-9,19H,3,6H2,1-2H3
InChIKeyPUFCAWQHYKCKPH-UHFFFAOYSA-N
MW344.20 g/mol
LogP4.53
Rot. Bonds5

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

1-[5-(4-bromo-2,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine (PubChem CID 107615154) has the molecular formula C15H16BrF2NO and a molecular weight of 344.20 g/mol. Its IUPAC name is 1-[5-(4-bromo-2,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(4-bromo-2,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
PubChem CID107615154
Molecular FormulaC15H16BrF2NO
Molecular Weight344.20 g/mol
Exact Mass343.04
IUPAC Name1-[5-(4-bromo-2,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1ccc(-c2cc(F)c(Br)cc2F)o1
InChIInChI=1S/C15H16BrF2NO/c1-3-19-9(2)6-10-4-5-15(20-10)11-7-14(18)12(16)8-13(11)17/h4-5,7-9,19H,3,6H2,1-2H3
InChIKeyPUFCAWQHYKCKPH-UHFFFAOYSA-N
XLogP4.53
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 107626829
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-(4-bromo-2-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 63398595
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
1-[5-(2-bromo-5-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 81274606
1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 55181507

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-bromo-2,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine?
The IUPAC name of 1-[5-(4-bromo-2,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine (CID 107615154) is 1-[5-(4-bromo-2,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine.
What is the SMILES notation for 1-[5-(4-bromo-2,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine?
The canonical SMILES for 1-[5-(4-bromo-2,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine is CCNC(C)Cc1ccc(-c2cc(F)c(Br)cc2F)o1.
What is the InChIKey of 1-[5-(4-bromo-2,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine?
The InChIKey is PUFCAWQHYKCKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrF2NO/c1-3-19-9(2)6-10-4-5-15(20-10)11-7-14(18)12(16)8-13(11)17/h4-5,7-9,19H,3,6H2,1-2H3.
What are the key properties of 1-[5-(4-bromo-2,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine?
1-[5-(4-bromo-2,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine has a molecular weight of 344.20 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-bromo-2,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine is sourced from PubChem (CID 107615154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).