N-[2,3-dihydro-1-benzothiophen-3-yl-(3,5-dimethylphenyl)methyl]ethanamine

C19H23NS — CID 105096909

IUPACN-[2,3-dihydro-1-benzothiophen-3-yl-(3,5-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(C)c1)C1CSc2ccccc21
InChIInChI=1S/C19H23NS/c1-4-20-19(15-10-13(2)9-14(3)11-15)17-12-21-18-8-6-5-7-16(17)18/h5-11,17,19-20H,4,12H2,1-3H3
InChIKeyFLTRZFZHRJKURC-UHFFFAOYSA-N
MW297.47 g/mol
LogP4.84
Rot. Bonds4

About N-[2,3-dihydro-1-benzothiophen-3-yl-(3,5-dimethylphenyl)methyl]ethanamine

N-[2,3-dihydro-1-benzothiophen-3-yl-(3,5-dimethylphenyl)methyl]ethanamine (PubChem CID 105096909) has the molecular formula C19H23NS and a molecular weight of 297.47 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzothiophen-3-yl-(3,5-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzothiophen-3-yl-(3,5-dimethylphenyl)methyl]ethanamine
PubChem CID105096909
Molecular FormulaC19H23NS
Molecular Weight297.47 g/mol
Exact Mass297.16
IUPAC NameN-[2,3-dihydro-1-benzothiophen-3-yl-(3,5-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(C)c1)C1CSc2ccccc21
InChIInChI=1S/C19H23NS/c1-4-20-19(15-10-13(2)9-14(3)11-15)17-12-21-18-8-6-5-7-16(17)18/h5-11,17,19-20H,4,12H2,1-3H3
InChIKeyFLTRZFZHRJKURC-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2,3-dihydro-1-benzothiophen-3-yl-(3,5-dimethylphenyl)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(furan-3-yl)methyl]ethanamine
CID 105146656
N-[2,3-dihydro-1-benzothiophen-3-yl-(2,3-dimethylphenyl)methyl]ethanamine
CID 105140590
N-[(2,3-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methyl]ethanamine
CID 105150794
N-[[(1E)-cycloocten-1-yl]-(2,3-dihydro-1-benzothiophen-3-yl)methyl]ethanamine
CID 106656525
N-[2,3-dihydro-1-benzothiophen-3-yl-(4-fluorophenyl)methyl]propan-1-amine
CID 105088283
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
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 79703599
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethyl-3-methylpentan-1-amine
CID 105138341
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-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105142911

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzothiophen-3-yl-(3,5-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[2,3-dihydro-1-benzothiophen-3-yl-(3,5-dimethylphenyl)methyl]ethanamine (CID 105096909) is N-[2,3-dihydro-1-benzothiophen-3-yl-(3,5-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[2,3-dihydro-1-benzothiophen-3-yl-(3,5-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[2,3-dihydro-1-benzothiophen-3-yl-(3,5-dimethylphenyl)methyl]ethanamine is CCNC(c1cc(C)cc(C)c1)C1CSc2ccccc21.
What is the InChIKey of N-[2,3-dihydro-1-benzothiophen-3-yl-(3,5-dimethylphenyl)methyl]ethanamine?
The InChIKey is FLTRZFZHRJKURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NS/c1-4-20-19(15-10-13(2)9-14(3)11-15)17-12-21-18-8-6-5-7-16(17)18/h5-11,17,19-20H,4,12H2,1-3H3.
What are the key properties of N-[2,3-dihydro-1-benzothiophen-3-yl-(3,5-dimethylphenyl)methyl]ethanamine?
N-[2,3-dihydro-1-benzothiophen-3-yl-(3,5-dimethylphenyl)methyl]ethanamine has a molecular weight of 297.47 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1-benzothiophen-3-yl-(3,5-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 105096909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).