1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-ethylphenyl)-N-methylethanamine

C19H23NS — CID 105101921

IUPAC1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-ethylphenyl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)C2Cc3ccccc3S2)cc1
InChIInChI=1S/C19H23NS/c1-3-14-8-10-15(11-9-14)12-17(20-2)19-13-16-6-4-5-7-18(16)21-19/h4-11,17,19-20H,3,12-13H2,1-2H3
InChIKeySQIQIPCCYGZMIP-UHFFFAOYSA-N
MW297.47 g/mol
LogP4.10
Rot. Bonds5

About 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-ethylphenyl)-N-methylethanamine

1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-ethylphenyl)-N-methylethanamine (PubChem CID 105101921) has the molecular formula C19H23NS and a molecular weight of 297.47 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-ethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-ethylphenyl)-N-methylethanamine
PubChem CID105101921
Molecular FormulaC19H23NS
Molecular Weight297.47 g/mol
Exact Mass297.16
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-ethylphenyl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)C2Cc3ccccc3S2)cc1
InChIInChI=1S/C19H23NS/c1-3-14-8-10-15(11-9-14)12-17(20-2)19-13-16-6-4-5-7-18(16)21-19/h4-11,17,19-20H,3,12-13H2,1-2H3
InChIKeySQIQIPCCYGZMIP-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine
CID 105079050
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 105090430
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 105114270
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylhexan-1-amine
CID 105130052
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylethanamine
CID 103053312
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpent-3-yn-1-amine
CID 105112708
[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105310289
N-[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 105160573
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethylpropan-1-amine
CID 105078795
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105167273
[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethyl]hydrazine
CID 105317497
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylethanamine
CID 105180439

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-ethylphenyl)-N-methylethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-ethylphenyl)-N-methylethanamine (CID 105101921) is 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-ethylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-ethylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-ethylphenyl)-N-methylethanamine is CCc1ccc(CC(NC)C2Cc3ccccc3S2)cc1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-ethylphenyl)-N-methylethanamine?
The InChIKey is SQIQIPCCYGZMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NS/c1-3-14-8-10-15(11-9-14)12-17(20-2)19-13-16-6-4-5-7-18(16)21-19/h4-11,17,19-20H,3,12-13H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-ethylphenyl)-N-methylethanamine?
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-ethylphenyl)-N-methylethanamine has a molecular weight of 297.47 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-ethylphenyl)-N-methylethanamine is sourced from PubChem (CID 105101921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).