1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)-N-methylethanamine

C15H14BrNO2 — CID 105177810

IUPAC1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)-N-methylethanamine
SMILESCNC(Cc1ccoc1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C15H14BrNO2/c1-17-13(7-10-5-6-18-9-10)14-8-11-3-2-4-12(16)15(11)19-14/h2-6,8-9,13,17H,7H2,1H3
InChIKeyOEFVBUDXQLPNJI-UHFFFAOYSA-N
MW320.19 g/mol
LogP4.29
Rot. Bonds4

About 1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)-N-methylethanamine

1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)-N-methylethanamine (PubChem CID 105177810) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)-N-methylethanamine
PubChem CID105177810
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)-N-methylethanamine
SMILESCNC(Cc1ccoc1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C15H14BrNO2/c1-17-13(7-10-5-6-18-9-10)14-8-11-3-2-4-12(16)15(11)19-14/h2-6,8-9,13,17H,7H2,1H3
InChIKeyOEFVBUDXQLPNJI-UHFFFAOYSA-N
XLogP4.29
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)-N-methylethanamine 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-methylbutan-1-amine
CID 65438862
1-(7-bromo-1-benzofuran-2-yl)-N-methylbut-3-en-1-amine
CID 105108656
[1-(7-bromo-1-benzofuran-2-yl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105284216
1-(7-bromo-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine
CID 105139091
1-(7-bromo-1-benzofuran-2-yl)-2-cyclobutyl-N-methylethanamine
CID 105151800
1-(7-bromo-1-benzofuran-2-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 105147976
1-(7-bromo-1-benzofuran-2-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 105150403
1-(4-bromo-3-methylphenyl)-2-(furan-3-yl)-N-methylethanamine
CID 105030035
1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)ethanone
CID 105126036
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 105137627
1-(2,6-difluorophenyl)-2-(furan-3-yl)-N-methylethanamine
CID 83183458
1-(7-bromo-1-benzofuran-2-yl)-1-(furan-2-yl)-N-methylmethanamine
CID 105147059

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)-N-methylethanamine?
The IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)-N-methylethanamine (CID 105177810) is 1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)-N-methylethanamine.
What is the SMILES notation for 1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)-N-methylethanamine?
The canonical SMILES for 1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)-N-methylethanamine is CNC(Cc1ccoc1)c1cc2cccc(Br)c2o1.
What is the InChIKey of 1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)-N-methylethanamine?
The InChIKey is OEFVBUDXQLPNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-17-13(7-10-5-6-18-9-10)14-8-11-3-2-4-12(16)15(11)19-14/h2-6,8-9,13,17H,7H2,1H3.
What are the key properties of 1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)-N-methylethanamine?
1-(7-bromo-1-benzofuran-2-yl)-2-(furan-3-yl)-N-methylethanamine has a molecular weight of 320.19 g/mol, XLogP of 4.29, 4 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)-2-(furan-3-yl)-N-methylethanamine is sourced from PubChem (CID 105177810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).