1-(7-bromo-1-benzofuran-2-yl)-N-ethylpent-4-yn-1-amine

C15H16BrNO — CID 105149223

IUPAC1-(7-bromo-1-benzofuran-2-yl)-N-ethylpent-4-yn-1-amine
SMILESC#CCCC(NCC)c1cc2cccc(Br)c2o1
InChIInChI=1S/C15H16BrNO/c1-3-5-9-13(17-4-2)14-10-11-7-6-8-12(16)15(11)18-14/h1,6-8,10,13,17H,4-5,9H2,2H3
InChIKeyDNKXXTUOCCNBME-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.26
Rot. Bonds5

About 1-(7-bromo-1-benzofuran-2-yl)-N-ethylpent-4-yn-1-amine

1-(7-bromo-1-benzofuran-2-yl)-N-ethylpent-4-yn-1-amine (PubChem CID 105149223) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 1-(7-bromo-1-benzofuran-2-yl)-N-ethylpent-4-yn-1-amine.

Molecular Properties

Compound Name1-(7-bromo-1-benzofuran-2-yl)-N-ethylpent-4-yn-1-amine
PubChem CID105149223
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name1-(7-bromo-1-benzofuran-2-yl)-N-ethylpent-4-yn-1-amine
SMILESC#CCCC(NCC)c1cc2cccc(Br)c2o1
InChIInChI=1S/C15H16BrNO/c1-3-5-9-13(17-4-2)14-10-11-7-6-8-12(16)15(11)18-14/h1,6-8,10,13,17H,4-5,9H2,2H3
InChIKeyDNKXXTUOCCNBME-UHFFFAOYSA-N
XLogP4.26
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine
CID 105190303
1-(7-bromo-1-benzofuran-2-yl)pent-4-yn-1-ol
CID 105098554
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 65438864
1-(7-bromo-1-benzofuran-2-yl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine
CID 105139336
1-(7-bromo-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65438862
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 105138802
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 105137627
1-(7-bromo-1-benzofuran-2-yl)-5-methyl-N-propylhexan-1-amine
CID 105177238
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105169267
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105175123
N-ethyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-amine
CID 65441133
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-4-methylpentan-1-amine
CID 114728128

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-N-ethylpent-4-yn-1-amine?
The IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-N-ethylpent-4-yn-1-amine (CID 105149223) is 1-(7-bromo-1-benzofuran-2-yl)-N-ethylpent-4-yn-1-amine.
What is the SMILES notation for 1-(7-bromo-1-benzofuran-2-yl)-N-ethylpent-4-yn-1-amine?
The canonical SMILES for 1-(7-bromo-1-benzofuran-2-yl)-N-ethylpent-4-yn-1-amine is C#CCCC(NCC)c1cc2cccc(Br)c2o1.
What is the InChIKey of 1-(7-bromo-1-benzofuran-2-yl)-N-ethylpent-4-yn-1-amine?
The InChIKey is DNKXXTUOCCNBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-3-5-9-13(17-4-2)14-10-11-7-6-8-12(16)15(11)18-14/h1,6-8,10,13,17H,4-5,9H2,2H3.
What are the key properties of 1-(7-bromo-1-benzofuran-2-yl)-N-ethylpent-4-yn-1-amine?
1-(7-bromo-1-benzofuran-2-yl)-N-ethylpent-4-yn-1-amine has a molecular weight of 306.20 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1-benzofuran-2-yl)-N-ethylpent-4-yn-1-amine is sourced from PubChem (CID 105149223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).