1-(1-benzofuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine

C16H17NOS — CID 43224186

IUPAC1-(1-benzofuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccsc1CNC(C)c1cc2ccccc2o1
InChIInChI=1S/C16H17NOS/c1-11-7-8-19-16(11)10-17-12(2)15-9-13-5-3-4-6-14(13)18-15/h3-9,12,17H,10H2,1-2H3
InChIKeyPUZZELHRLOBFDK-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.65
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine

1-(1-benzofuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 43224186) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
PubChem CID43224186
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC Name1-(1-benzofuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccsc1CNC(C)c1cc2ccccc2o1
InChIInChI=1S/C16H17NOS/c1-11-7-8-19-16(11)10-17-12(2)15-9-13-5-3-4-6-14(13)18-15/h3-9,12,17H,10H2,1-2H3
InChIKeyPUZZELHRLOBFDK-UHFFFAOYSA-N
XLogP4.65
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 55387147
2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]phenol
CID 43722013
1-(1-benzofuran-2-yl)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]ethanamine
CID 102833052
1-(1-benzofuran-2-yl)-N-[(3-bromo-4-methylphenyl)methyl]ethanamine
CID 105401275
1-(1-benzofuran-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 104578514
2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]aniline
CID 66387855
(1R)-1-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 81350040
1-benzofuran-2-yl-(3-methylthiophen-2-yl)methanamine
CID 63991259
N-[1-(1-benzofuran-2-yl)ethyl]-2-bromoprop-2-en-1-amine
CID 115717326
N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine
CID 43224187
1-[1-(1-benzofuran-2-yl)ethylamino]-3-ethylpentan-2-ol
CID 103783098
1-(1-benzofuran-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43722034

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine (CID 43224186) is 1-(1-benzofuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine is Cc1ccsc1CNC(C)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is PUZZELHRLOBFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-11-7-8-19-16(11)10-17-12(2)15-9-13-5-3-4-6-14(13)18-15/h3-9,12,17H,10H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
1-(1-benzofuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 271.38 g/mol, XLogP of 4.65, 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-[(3-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 43224186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).