1-(5,7-dibromo-1-benzofuran-2-yl)-N-propylpropan-1-amine

C14H17Br2NO — CID 65440043

IUPAC1-(5,7-dibromo-1-benzofuran-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1cc2cc(Br)cc(Br)c2o1
InChIInChI=1S/C14H17Br2NO/c1-3-5-17-12(4-2)13-7-9-6-10(15)8-11(16)14(9)18-13/h6-8,12,17H,3-5H2,1-2H3
InChIKeyZAKPVSHVYPJNKS-UHFFFAOYSA-N
MW375.10 g/mol
LogP5.41
Rot. Bonds5

About 1-(5,7-dibromo-1-benzofuran-2-yl)-N-propylpropan-1-amine

1-(5,7-dibromo-1-benzofuran-2-yl)-N-propylpropan-1-amine (PubChem CID 65440043) has the molecular formula C14H17Br2NO and a molecular weight of 375.10 g/mol. Its IUPAC name is 1-(5,7-dibromo-1-benzofuran-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(5,7-dibromo-1-benzofuran-2-yl)-N-propylpropan-1-amine
PubChem CID65440043
Molecular FormulaC14H17Br2NO
Molecular Weight375.10 g/mol
Exact Mass372.97
IUPAC Name1-(5,7-dibromo-1-benzofuran-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1cc2cc(Br)cc(Br)c2o1
InChIInChI=1S/C14H17Br2NO/c1-3-5-17-12(4-2)13-7-9-6-10(15)8-11(16)14(9)18-13/h6-8,12,17H,3-5H2,1-2H3
InChIKeyZAKPVSHVYPJNKS-UHFFFAOYSA-N
XLogP5.41
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.10
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 65439832
1-(5,7-dibromo-1-benzofuran-2-yl)propan-1-ol
CID 15350188
N-[1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 65438613
1-(5-ethyl-7-methoxy-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 107669317
1-(5,7-dibromo-1-benzofuran-2-yl)-N-methylethanamine
CID 65440371
1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 116690983
1-(7-bromo-1-benzofuran-2-yl)-5-methyl-N-propylhexan-1-amine
CID 105177238
1-(7-bromo-5-methyl-1-benzofuran-2-yl)-N-ethylbutan-1-amine
CID 65438665
N-[(5-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]propan-1-amine
CID 65438724
1-(7-bromo-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine
CID 105182757
1-(5,7-dibromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-amine
CID 65439503
1-(3-bromo-5-methylphenyl)-N-propylpropan-1-amine
CID 114979558

Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dibromo-1-benzofuran-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(5,7-dibromo-1-benzofuran-2-yl)-N-propylpropan-1-amine (CID 65440043) is 1-(5,7-dibromo-1-benzofuran-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(5,7-dibromo-1-benzofuran-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(5,7-dibromo-1-benzofuran-2-yl)-N-propylpropan-1-amine is CCCNC(CC)c1cc2cc(Br)cc(Br)c2o1.
What is the InChIKey of 1-(5,7-dibromo-1-benzofuran-2-yl)-N-propylpropan-1-amine?
The InChIKey is ZAKPVSHVYPJNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2NO/c1-3-5-17-12(4-2)13-7-9-6-10(15)8-11(16)14(9)18-13/h6-8,12,17H,3-5H2,1-2H3.
What are the key properties of 1-(5,7-dibromo-1-benzofuran-2-yl)-N-propylpropan-1-amine?
1-(5,7-dibromo-1-benzofuran-2-yl)-N-propylpropan-1-amine has a molecular weight of 375.10 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dibromo-1-benzofuran-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 65440043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).