1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine

C15H20BrNO2 — CID 105190303

IUPAC1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine
SMILESCCNC(CCCOC)c1cc2cccc(Br)c2o1
InChIInChI=1S/C15H20BrNO2/c1-3-17-13(8-5-9-18-2)14-10-11-6-4-7-12(16)15(11)19-14/h4,6-7,10,13,17H,3,5,8-9H2,1-2H3
InChIKeyRZPDARPLBXKYOL-UHFFFAOYSA-N
MW326.23 g/mol
LogP4.27
Rot. Bonds7

About 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine

1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine (PubChem CID 105190303) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine.

Molecular Properties

Compound Name1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine
PubChem CID105190303
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine
SMILESCCNC(CCCOC)c1cc2cccc(Br)c2o1
InChIInChI=1S/C15H20BrNO2/c1-3-17-13(8-5-9-18-2)14-10-11-6-4-7-12(16)15(11)19-14/h4,6-7,10,13,17H,3,5,8-9H2,1-2H3
InChIKeyRZPDARPLBXKYOL-UHFFFAOYSA-N
XLogP4.27
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(7-bromo-1-benzofuran-2-yl)-N-ethylpent-4-yn-1-amine
CID 105149223
1-(1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine
CID 113230976
N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-3-methoxypropan-1-amine
CID 114728068
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-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)-2-methoxyethanamine
CID 105165713
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 105137627
1-(3-bromoquinolin-2-yl)-N-ethyl-4-methoxybutan-1-amine
CID 114856703
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105169267

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine?
The IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine (CID 105190303) is 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine.
What is the SMILES notation for 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine?
The canonical SMILES for 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine is CCNC(CCCOC)c1cc2cccc(Br)c2o1.
What is the InChIKey of 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine?
The InChIKey is RZPDARPLBXKYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-3-17-13(8-5-9-18-2)14-10-11-6-4-7-12(16)15(11)19-14/h4,6-7,10,13,17H,3,5,8-9H2,1-2H3.
What are the key properties of 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine?
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine has a molecular weight of 326.23 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine is sourced from PubChem (CID 105190303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).