1-(1-benzofuran-2-yl)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]ethanamine

C16H16BrNOS — CID 102833052

IUPAC1-(1-benzofuran-2-yl)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1sc(CNC(C)c2cc3ccccc3o2)cc1Br
InChIInChI=1S/C16H16BrNOS/c1-10(18-9-13-8-14(17)11(2)20-13)16-7-12-5-3-4-6-15(12)19-16/h3-8,10,18H,9H2,1-2H3
InChIKeyFKUHFKAXQIWOBX-UHFFFAOYSA-N
MW350.28 g/mol
LogP5.42
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]ethanamine

1-(1-benzofuran-2-yl)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 102833052) has the molecular formula C16H16BrNOS and a molecular weight of 350.28 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]ethanamine
PubChem CID102833052
Molecular FormulaC16H16BrNOS
Molecular Weight350.28 g/mol
Exact Mass349.01
IUPAC Name1-(1-benzofuran-2-yl)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1sc(CNC(C)c2cc3ccccc3o2)cc1Br
InChIInChI=1S/C16H16BrNOS/c1-10(18-9-13-8-14(17)11(2)20-13)16-7-12-5-3-4-6-15(12)19-16/h3-8,10,18H,9H2,1-2H3
InChIKeyFKUHFKAXQIWOBX-UHFFFAOYSA-N
XLogP5.42
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.28
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-benzofuran-2-yl)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]ethanamine 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-(1-benzofuran-2-yl)-N-[(3-bromo-4-methylphenyl)methyl]ethanamine
CID 105401275
1-(1-benzofuran-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 55387147
1-(1-benzofuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 43224186
2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]phenol
CID 43722013
(1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(3-bromophenyl)ethanamine
CID 102836741
1-(1-benzofuran-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 104578514
(1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 102836706
2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]aniline
CID 66387855
1-(5-bromo-1-benzofuran-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62055857
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(2,5-dimethylphenyl)ethanamine
CID 102833458
1-(1-benzofuran-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 47009083
N-[1-(1-benzofuran-2-yl)ethyl]-2-bromoprop-2-en-1-amine
CID 115717326

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]ethanamine (CID 102833052) is 1-(1-benzofuran-2-yl)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]ethanamine is Cc1sc(CNC(C)c2cc3ccccc3o2)cc1Br.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is FKUHFKAXQIWOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNOS/c1-10(18-9-13-8-14(17)11(2)20-13)16-7-12-5-3-4-6-15(12)19-16/h3-8,10,18H,9H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]ethanamine?
1-(1-benzofuran-2-yl)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 350.28 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 102833052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).