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

C17H19NS — CID 105083790

IUPACN-[2,3-dihydro-1-benzothiophen-3-yl(phenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1)C1CSc2ccccc21
InChIInChI=1S/C17H19NS/c1-2-18-17(13-8-4-3-5-9-13)15-12-19-16-11-7-6-10-14(15)16/h3-11,15,17-18H,2,12H2,1H3
InChIKeyCBDAWWFLECLTPC-UHFFFAOYSA-N
MW269.41 g/mol
LogP4.23
Rot. Bonds4

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

N-[2,3-dihydro-1-benzothiophen-3-yl(phenyl)methyl]ethanamine (PubChem CID 105083790) has the molecular formula C17H19NS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzothiophen-3-yl(phenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzothiophen-3-yl(phenyl)methyl]ethanamine
PubChem CID105083790
Molecular FormulaC17H19NS
Molecular Weight269.41 g/mol
Exact Mass269.12
IUPAC NameN-[2,3-dihydro-1-benzothiophen-3-yl(phenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1)C1CSc2ccccc21
InChIInChI=1S/C17H19NS/c1-2-18-17(13-8-4-3-5-9-13)15-12-19-16-11-7-6-10-14(15)16/h3-11,15,17-18H,2,12H2,1H3
InChIKeyCBDAWWFLECLTPC-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,3-dihydro-1-benzothiophen-3-yl-(3,5-dimethylphenyl)methyl]ethanamine
CID 105096909
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-dihydro-1-benzothiophen-3-yl-(4-fluorophenyl)methyl]propan-1-amine
CID 105088283
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
1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 105121368
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)-N-ethylheptan-1-amine
CID 105125987
1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105173171
N-[2,3-dihydro-1-benzothiophen-3-yl-(2-methylphenyl)methyl]propan-1-amine
CID 105094887

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzothiophen-3-yl(phenyl)methyl]ethanamine?
The IUPAC name of N-[2,3-dihydro-1-benzothiophen-3-yl(phenyl)methyl]ethanamine (CID 105083790) is N-[2,3-dihydro-1-benzothiophen-3-yl(phenyl)methyl]ethanamine.
What is the SMILES notation for N-[2,3-dihydro-1-benzothiophen-3-yl(phenyl)methyl]ethanamine?
The canonical SMILES for N-[2,3-dihydro-1-benzothiophen-3-yl(phenyl)methyl]ethanamine is CCNC(c1ccccc1)C1CSc2ccccc21.
What is the InChIKey of N-[2,3-dihydro-1-benzothiophen-3-yl(phenyl)methyl]ethanamine?
The InChIKey is CBDAWWFLECLTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS/c1-2-18-17(13-8-4-3-5-9-13)15-12-19-16-11-7-6-10-14(15)16/h3-11,15,17-18H,2,12H2,1H3.
What are the key properties of N-[2,3-dihydro-1-benzothiophen-3-yl(phenyl)methyl]ethanamine?
N-[2,3-dihydro-1-benzothiophen-3-yl(phenyl)methyl]ethanamine has a molecular weight of 269.41 g/mol, XLogP of 4.23, 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(phenyl)methyl]ethanamine is sourced from PubChem (CID 105083790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).