2-(1-benzothiophen-3-yl)-1-phenylethanamine

C16H15NS — CID 62720010

IUPAC2-(1-benzothiophen-3-yl)-1-phenylethanamine
SMILESNC(Cc1csc2ccccc12)c1ccccc1
InChIInChI=1S/C16H15NS/c17-15(12-6-2-1-3-7-12)10-13-11-18-16-9-5-4-8-14(13)16/h1-9,11,15H,10,17H2
InChIKeyCXAFGQZDJHNSSS-UHFFFAOYSA-N
MW253.37 g/mol
LogP4.14
Rot. Bonds3

About 2-(1-benzothiophen-3-yl)-1-phenylethanamine

2-(1-benzothiophen-3-yl)-1-phenylethanamine (PubChem CID 62720010) has the molecular formula C16H15NS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-phenylethanamine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-phenylethanamine
PubChem CID62720010
Molecular FormulaC16H15NS
Molecular Weight253.37 g/mol
Exact Mass253.09
IUPAC Name2-(1-benzothiophen-3-yl)-1-phenylethanamine
SMILESNC(Cc1csc2ccccc12)c1ccccc1
InChIInChI=1S/C16H15NS/c17-15(12-6-2-1-3-7-12)10-13-11-18-16-9-5-4-8-14(13)16/h1-9,11,15H,10,17H2
InChIKeyCXAFGQZDJHNSSS-UHFFFAOYSA-N
XLogP4.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzothiophen-3-yl)-1-(4-methoxyphenyl)ethanamine
CID 63738834
2-(1-benzothiophen-3-yl)-1-(3,4,5-trifluorophenyl)ethanamine
CID 63736733
3-(1-benzothiophen-3-yl)-2-phenylpropan-1-amine
CID 65429469
3-(3-chloro-2-phenylpropyl)-1-benzothiophene
CID 66033225
3-(2-methyl-3-phenylpropyl)-1-benzothiophene
CID 4715035
2-amino-3-(1-benzothiophen-3-yl)propanal
CID 23504453
1-(1-benzofuran-2-yl)-2-(1-benzothiophen-3-yl)ethanamine
CID 63738304
2-(1-benzothiophen-3-yl)-1-(2-methylfuran-3-yl)ethanamine
CID 104789815
2-(1-benzothiophen-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 115823714
2-(1-benzothiophen-3-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 105116784
1-(1-benzothiophen-3-yl)-3-(2,6-dichlorophenyl)propan-2-amine
CID 63737420
3-(1-benzothiophen-3-yl)-2,2-dimethyl-1-phenylpropan-1-amine
CID 91011346

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-phenylethanamine?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-phenylethanamine (CID 62720010) is 2-(1-benzothiophen-3-yl)-1-phenylethanamine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-phenylethanamine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-phenylethanamine is NC(Cc1csc2ccccc12)c1ccccc1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-phenylethanamine?
The InChIKey is CXAFGQZDJHNSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NS/c17-15(12-6-2-1-3-7-12)10-13-11-18-16-9-5-4-8-14(13)16/h1-9,11,15H,10,17H2.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-phenylethanamine?
2-(1-benzothiophen-3-yl)-1-phenylethanamine has a molecular weight of 253.37 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-phenylethanamine is sourced from PubChem (CID 62720010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).