(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-ethylthiophen-2-yl)methanamine

C15H16BrNOS — CID 104541518

IUPAC(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-ethylthiophen-2-yl)methanamine
SMILESCCc1ccsc1C(N)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C15H16BrNOS/c1-2-9-4-6-19-15(9)13(17)12-8-11(16)7-10-3-5-18-14(10)12/h4,6-8,13H,2-3,5,17H2,1H3
InChIKeyQKMZWKLFOSSFDK-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.06
Rot. Bonds3

About (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-ethylthiophen-2-yl)methanamine

(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-ethylthiophen-2-yl)methanamine (PubChem CID 104541518) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-ethylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-ethylthiophen-2-yl)methanamine
PubChem CID104541518
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC Name(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-ethylthiophen-2-yl)methanamine
SMILESCCc1ccsc1C(N)c1cc(Br)cc2c1OCC2
InChIInChI=1S/C15H16BrNOS/c1-2-9-4-6-19-15(9)13(17)12-8-11(16)7-10-3-5-18-14(10)12/h4,6-8,13H,2-3,5,17H2,1H3
InChIKeyQKMZWKLFOSSFDK-UHFFFAOYSA-N
XLogP4.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-ethylthiophen-2-yl)methanamine 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

5-bromo-7-[bromo-(3-bromothiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 104543607
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(5-methylthiophen-2-yl)methanamine
CID 104541545
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chlorothiophen-2-yl)ethanamine
CID 105031711
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(5-iodothiophen-3-yl)methanamine
CID 104541568
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methylbutan-1-amine
CID 104541441
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-methylfuran-2-yl)methanamine
CID 104541452
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 104541897
5-bromo-7-propan-2-yl-2,3-dihydro-1-benzofuran
CID 59446392
(1R)-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)propan-1-ol
CID 104545355
ethyl 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-hydroxyacetate
CID 117484723
5-bromo-7-[bromo-(5-methylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 104543596
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(5-ethylfuran-2-yl)methanol
CID 104542868

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-ethylthiophen-2-yl)methanamine?
The IUPAC name of (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-ethylthiophen-2-yl)methanamine (CID 104541518) is (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-ethylthiophen-2-yl)methanamine.
What is the SMILES notation for (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-ethylthiophen-2-yl)methanamine?
The canonical SMILES for (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-ethylthiophen-2-yl)methanamine is CCc1ccsc1C(N)c1cc(Br)cc2c1OCC2.
What is the InChIKey of (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-ethylthiophen-2-yl)methanamine?
The InChIKey is QKMZWKLFOSSFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c1-2-9-4-6-19-15(9)13(17)12-8-11(16)7-10-3-5-18-14(10)12/h4,6-8,13H,2-3,5,17H2,1H3.
What are the key properties of (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-ethylthiophen-2-yl)methanamine?
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-ethylthiophen-2-yl)methanamine has a molecular weight of 338.27 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-ethylthiophen-2-yl)methanamine is sourced from PubChem (CID 104541518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).