1-[5-(2,6-dibromo-4-methylphenyl)furan-2-yl]-N-ethylpropan-2-amine

C16H19Br2NO — CID 63399061

IUPAC1-[5-(2,6-dibromo-4-methylphenyl)furan-2-yl]-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1ccc(-c2c(Br)cc(C)cc2Br)o1
InChIInChI=1S/C16H19Br2NO/c1-4-19-11(3)9-12-5-6-15(20-12)16-13(17)7-10(2)8-14(16)18/h5-8,11,19H,4,9H2,1-3H3
InChIKeyNMBYJLUOPJBUGD-UHFFFAOYSA-N
MW401.14 g/mol
LogP5.32
Rot. Bonds5

About 1-[5-(2,6-dibromo-4-methylphenyl)furan-2-yl]-N-ethylpropan-2-amine

1-[5-(2,6-dibromo-4-methylphenyl)furan-2-yl]-N-ethylpropan-2-amine (PubChem CID 63399061) has the molecular formula C16H19Br2NO and a molecular weight of 401.14 g/mol. Its IUPAC name is 1-[5-(2,6-dibromo-4-methylphenyl)furan-2-yl]-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(2,6-dibromo-4-methylphenyl)furan-2-yl]-N-ethylpropan-2-amine
PubChem CID63399061
Molecular FormulaC16H19Br2NO
Molecular Weight401.14 g/mol
Exact Mass398.98
IUPAC Name1-[5-(2,6-dibromo-4-methylphenyl)furan-2-yl]-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1ccc(-c2c(Br)cc(C)cc2Br)o1
InChIInChI=1S/C16H19Br2NO/c1-4-19-11(3)9-12-5-6-15(20-12)16-13(17)7-10(2)8-14(16)18/h5-8,11,19H,4,9H2,1-3H3
InChIKeyNMBYJLUOPJBUGD-UHFFFAOYSA-N
XLogP5.32
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.14
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-[5-(2,3,5,6-tetrafluorophenyl)furan-2-yl]propan-2-amine
CID 107645719
1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 107626829
1-[5-(4-bromo-2,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 107615154
N-[[5-(2,6-dibromo-4-methylphenyl)furan-2-yl]methyl]propan-1-amine
CID 43624854
N-ethyl-1-[5-(2,4,5-trichlorophenyl)furan-2-yl]propan-2-amine
CID 63398766
1-[5-(2,4,6-tribromophenyl)furan-2-yl]propan-2-ol
CID 55180164
1-[5-(5-chloro-2-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 63084110
1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 107577105
N-ethyl-1-[5-(2-ethylphenyl)furan-2-yl]propan-2-amine
CID 63085626
1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 55181507
N-ethyl-1-(5-quinoxalin-6-ylfuran-2-yl)propan-2-amine
CID 63086160
1-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 107615184

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,6-dibromo-4-methylphenyl)furan-2-yl]-N-ethylpropan-2-amine?
The IUPAC name of 1-[5-(2,6-dibromo-4-methylphenyl)furan-2-yl]-N-ethylpropan-2-amine (CID 63399061) is 1-[5-(2,6-dibromo-4-methylphenyl)furan-2-yl]-N-ethylpropan-2-amine.
What is the SMILES notation for 1-[5-(2,6-dibromo-4-methylphenyl)furan-2-yl]-N-ethylpropan-2-amine?
The canonical SMILES for 1-[5-(2,6-dibromo-4-methylphenyl)furan-2-yl]-N-ethylpropan-2-amine is CCNC(C)Cc1ccc(-c2c(Br)cc(C)cc2Br)o1.
What is the InChIKey of 1-[5-(2,6-dibromo-4-methylphenyl)furan-2-yl]-N-ethylpropan-2-amine?
The InChIKey is NMBYJLUOPJBUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Br2NO/c1-4-19-11(3)9-12-5-6-15(20-12)16-13(17)7-10(2)8-14(16)18/h5-8,11,19H,4,9H2,1-3H3.
What are the key properties of 1-[5-(2,6-dibromo-4-methylphenyl)furan-2-yl]-N-ethylpropan-2-amine?
1-[5-(2,6-dibromo-4-methylphenyl)furan-2-yl]-N-ethylpropan-2-amine has a molecular weight of 401.14 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,6-dibromo-4-methylphenyl)furan-2-yl]-N-ethylpropan-2-amine is sourced from PubChem (CID 63399061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).