1-(1-benzothiophen-2-yl)-N-[(3-methylphenyl)methyl]ethanamine

C18H19NS — CID 115617548

IUPAC1-(1-benzothiophen-2-yl)-N-[(3-methylphenyl)methyl]ethanamine
SMILESCc1cccc(CNC(C)c2cc3ccccc3s2)c1
InChIInChI=1S/C18H19NS/c1-13-6-5-7-15(10-13)12-19-14(2)18-11-16-8-3-4-9-17(16)20-18/h3-11,14,19H,12H2,1-2H3
InChIKeyWYGZYTTYZFITPP-UHFFFAOYSA-N
MW281.42 g/mol
LogP5.06
Rot. Bonds4

About 1-(1-benzothiophen-2-yl)-N-[(3-methylphenyl)methyl]ethanamine

1-(1-benzothiophen-2-yl)-N-[(3-methylphenyl)methyl]ethanamine (PubChem CID 115617548) has the molecular formula C18H19NS and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-N-[(3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-N-[(3-methylphenyl)methyl]ethanamine
PubChem CID115617548
Molecular FormulaC18H19NS
Molecular Weight281.42 g/mol
Exact Mass281.12
IUPAC Name1-(1-benzothiophen-2-yl)-N-[(3-methylphenyl)methyl]ethanamine
SMILESCc1cccc(CNC(C)c2cc3ccccc3s2)c1
InChIInChI=1S/C18H19NS/c1-13-6-5-7-15(10-13)12-19-14(2)18-11-16-8-3-4-9-17(16)20-18/h3-11,14,19H,12H2,1-2H3
InChIKeyWYGZYTTYZFITPP-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.42
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-2-yl)-N-[(2-ethylphenyl)methyl]ethanamine
CID 114909932
1-(1-benzothiophen-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 104579268
N-[1-(1-benzothiophen-2-yl)ethyl]prop-2-en-1-amine
CID 104579324
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-benzothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
CID 114983148
1-(1-benzothiophen-2-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 115617554
1-(1-benzothiophen-2-yl)-N-[2-(4-chlorophenyl)ethyl]ethanamine
CID 114909642
N-[1-(1-benzothiophen-2-yl)ethyl]-2,4,6-trimethylaniline
CID 114909796
N-[1-(1-benzothiophen-2-yl)ethyl]-3-methoxypropan-1-amine
CID 114983145
N-[1-(1-benzothiophen-2-yl)ethyl]butan-2-amine
CID 115718240
N-[1-(1-benzothiophen-2-yl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 114910004

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-N-[(3-methylphenyl)methyl]ethanamine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-N-[(3-methylphenyl)methyl]ethanamine (CID 115617548) is 1-(1-benzothiophen-2-yl)-N-[(3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-N-[(3-methylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-N-[(3-methylphenyl)methyl]ethanamine is Cc1cccc(CNC(C)c2cc3ccccc3s2)c1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-N-[(3-methylphenyl)methyl]ethanamine?
The InChIKey is WYGZYTTYZFITPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NS/c1-13-6-5-7-15(10-13)12-19-14(2)18-11-16-8-3-4-9-17(16)20-18/h3-11,14,19H,12H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-N-[(3-methylphenyl)methyl]ethanamine?
1-(1-benzothiophen-2-yl)-N-[(3-methylphenyl)methyl]ethanamine has a molecular weight of 281.42 g/mol, XLogP of 5.06, 4 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-[(3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 115617548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).