1-(1-benzothiophen-2-yl)-N-[(2-ethylphenyl)methyl]ethanamine

C19H21NS — CID 114909932

IUPAC1-(1-benzothiophen-2-yl)-N-[(2-ethylphenyl)methyl]ethanamine
SMILESCCc1ccccc1CNC(C)c1cc2ccccc2s1
InChIInChI=1S/C19H21NS/c1-3-15-8-4-5-10-17(15)13-20-14(2)19-12-16-9-6-7-11-18(16)21-19/h4-12,14,20H,3,13H2,1-2H3
InChIKeyXVQWHIWLTVYFJQ-UHFFFAOYSA-N
MW295.45 g/mol
LogP5.31
Rot. Bonds5

About 1-(1-benzothiophen-2-yl)-N-[(2-ethylphenyl)methyl]ethanamine

1-(1-benzothiophen-2-yl)-N-[(2-ethylphenyl)methyl]ethanamine (PubChem CID 114909932) has the molecular formula C19H21NS and a molecular weight of 295.45 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-N-[(2-ethylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-N-[(2-ethylphenyl)methyl]ethanamine
PubChem CID114909932
Molecular FormulaC19H21NS
Molecular Weight295.45 g/mol
Exact Mass295.14
IUPAC Name1-(1-benzothiophen-2-yl)-N-[(2-ethylphenyl)methyl]ethanamine
SMILESCCc1ccccc1CNC(C)c1cc2ccccc2s1
InChIInChI=1S/C19H21NS/c1-3-15-8-4-5-10-17(15)13-20-14(2)19-12-16-9-6-7-11-18(16)21-19/h4-12,14,20H,3,13H2,1-2H3
InChIKeyXVQWHIWLTVYFJQ-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.45
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-2-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 115617548
1-(1-benzothiophen-2-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 115767863
1-(1-benzothiophen-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 103851641
1-[1-(1-benzothiophen-2-yl)ethylamino]butan-2-ol
CID 113429047
N-[1-(1-benzothiophen-2-yl)ethyl]prop-2-en-1-amine
CID 104579324
N-[1-(1-benzothiophen-2-yl)ethyl]butan-2-amine
CID 115718240
1-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
CID 114983148
1-(1-benzothiophen-2-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 115617554
2-[1-(1-benzothiophen-2-yl)ethylamino]-N-ethylpropanamide
CID 114909718
N-[1-(1-benzothiophen-2-yl)ethyl]-3-methoxypropan-1-amine
CID 114983145
5-[1-(1-benzothiophen-2-yl)ethylamino]pentan-1-ol
CID 104579334
1-(1-benzothiophen-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 104579268

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-N-[(2-ethylphenyl)methyl]ethanamine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-N-[(2-ethylphenyl)methyl]ethanamine (CID 114909932) is 1-(1-benzothiophen-2-yl)-N-[(2-ethylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-N-[(2-ethylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-N-[(2-ethylphenyl)methyl]ethanamine is CCc1ccccc1CNC(C)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-N-[(2-ethylphenyl)methyl]ethanamine?
The InChIKey is XVQWHIWLTVYFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NS/c1-3-15-8-4-5-10-17(15)13-20-14(2)19-12-16-9-6-7-11-18(16)21-19/h4-12,14,20H,3,13H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-N-[(2-ethylphenyl)methyl]ethanamine?
1-(1-benzothiophen-2-yl)-N-[(2-ethylphenyl)methyl]ethanamine has a molecular weight of 295.45 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-N-[(2-ethylphenyl)methyl]ethanamine is sourced from PubChem (CID 114909932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).