N-[2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methyl]ethanamine

C15H17NOS — CID 105146656

IUPACN-[2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccoc1)C1CSc2ccccc21
InChIInChI=1S/C15H17NOS/c1-2-16-15(11-7-8-17-9-11)13-10-18-14-6-4-3-5-12(13)14/h3-9,13,15-16H,2,10H2,1H3
InChIKeyYTYVTLGKOZXTOZ-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.82
Rot. Bonds4

About N-[2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methyl]ethanamine

N-[2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methyl]ethanamine (PubChem CID 105146656) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methyl]ethanamine
PubChem CID105146656
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC NameN-[2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccoc1)C1CSc2ccccc21
InChIInChI=1S/C15H17NOS/c1-2-16-15(11-7-8-17-9-11)13-10-18-14-6-4-3-5-12(13)14/h3-9,13,15-16H,2,10H2,1H3
InChIKeyYTYVTLGKOZXTOZ-UHFFFAOYSA-N
XLogP3.82
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2,3-dihydro-1-benzothiophen-3-yl(furan-3-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

N-[2,3-dihydro-1-benzothiophen-3-yl(phenyl)methyl]ethanamine
CID 105083790
N-[2,3-dihydro-1-benzothiophen-3-yl-(3,5-dimethylphenyl)methyl]ethanamine
CID 105096909
2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methanamine
CID 105146701
N-[(2,3-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methyl]ethanamine
CID 105150794
N-[2,3-dihydro-1-benzothiophen-3-yl(furan-2-yl)methyl]propan-1-amine
CID 105147042
N-[2,3-dihydro-1-benzothiophen-3-yl-(4-fluorophenyl)methyl]propan-1-amine
CID 105088283
N-[2,3-dihydro-1-benzothiophen-3-yl-(2,3-dimethylphenyl)methyl]ethanamine
CID 105140590
N-[[(1E)-cycloocten-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methyl]ethanamine
CID 106656525
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methyl]ethanamine
CID 105182896
1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 105121368
N-[2,3-dihydro-1-benzothiophen-3-yl-(2-methylphenyl)methyl]propan-1-amine
CID 105094887
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethyl-3-methylpentan-1-amine
CID 105138341

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methyl]ethanamine?
The IUPAC name of N-[2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methyl]ethanamine (CID 105146656) is N-[2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methyl]ethanamine is CCNC(c1ccoc1)C1CSc2ccccc21.
What is the InChIKey of N-[2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methyl]ethanamine?
The InChIKey is YTYVTLGKOZXTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-2-16-15(11-7-8-17-9-11)13-10-18-14-6-4-3-5-12(13)14/h3-9,13,15-16H,2,10H2,1H3.
What are the key properties of N-[2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methyl]ethanamine?
N-[2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methyl]ethanamine has a molecular weight of 259.37 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methyl]ethanamine is sourced from PubChem (CID 105146656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).