1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine

C14H14BrF2NO — CID 55181507

IUPAC1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc(-c2c(F)cc(F)cc2Br)o1
InChIInChI=1S/C14H14BrF2NO/c1-8(18-2)5-10-3-4-13(19-10)14-11(15)6-9(16)7-12(14)17/h3-4,6-8,18H,5H2,1-2H3
InChIKeyUDURLHXOVQXVHK-UHFFFAOYSA-N
MW330.17 g/mol
LogP4.14
Rot. Bonds4

About 1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine

1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine (PubChem CID 55181507) has the molecular formula C14H14BrF2NO and a molecular weight of 330.17 g/mol. Its IUPAC name is 1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine
PubChem CID55181507
Molecular FormulaC14H14BrF2NO
Molecular Weight330.17 g/mol
Exact Mass329.02
IUPAC Name1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc(-c2c(F)cc(F)cc2Br)o1
InChIInChI=1S/C14H14BrF2NO/c1-8(18-2)5-10-3-4-13(19-10)14-11(15)6-9(16)7-12(14)17/h3-4,6-8,18H,5H2,1-2H3
InChIKeyUDURLHXOVQXVHK-UHFFFAOYSA-N
XLogP4.14
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 54.14
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-4,6-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine (CID 55181507) is 1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine is CNC(C)Cc1ccc(-c2c(F)cc(F)cc2Br)o1.
What is the InChIKey of 1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine?
The InChIKey is UDURLHXOVQXVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF2NO/c1-8(18-2)5-10-3-4-13(19-10)14-11(15)6-9(16)7-12(14)17/h3-4,6-8,18H,5H2,1-2H3.
What are the key properties of 1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine?
1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine has a molecular weight of 330.17 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 55181507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).