N-(1-phenylethyl)-1-benzothiophen-5-amine

C16H15NS — CID 43687851

IUPACN-(1-phenylethyl)-1-benzothiophen-5-amine
SMILESCC(Nc1ccc2sccc2c1)c1ccccc1
InChIInChI=1S/C16H15NS/c1-12(13-5-3-2-4-6-13)17-15-7-8-16-14(11-15)9-10-18-16/h2-12,17H,1H3
InChIKeyVXEMRNCRCSLXJW-UHFFFAOYSA-N
MW253.37 g/mol
LogP5.07
Rot. Bonds3

About N-(1-phenylethyl)-1-benzothiophen-5-amine

N-(1-phenylethyl)-1-benzothiophen-5-amine (PubChem CID 43687851) has the molecular formula C16H15NS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-(1-phenylethyl)-1-benzothiophen-5-amine.

Molecular Properties

Compound NameN-(1-phenylethyl)-1-benzothiophen-5-amine
PubChem CID43687851
Molecular FormulaC16H15NS
Molecular Weight253.37 g/mol
Exact Mass253.09
IUPAC NameN-(1-phenylethyl)-1-benzothiophen-5-amine
SMILESCC(Nc1ccc2sccc2c1)c1ccccc1
InChIInChI=1S/C16H15NS/c1-12(13-5-3-2-4-6-13)17-15-7-8-16-14(11-15)9-10-18-16/h2-12,17H,1H3
InChIKeyVXEMRNCRCSLXJW-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.37
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-1-benzothiophen-5-amine?
The IUPAC name of N-(1-phenylethyl)-1-benzothiophen-5-amine (CID 43687851) is N-(1-phenylethyl)-1-benzothiophen-5-amine.
What is the SMILES notation for N-(1-phenylethyl)-1-benzothiophen-5-amine?
The canonical SMILES for N-(1-phenylethyl)-1-benzothiophen-5-amine is CC(Nc1ccc2sccc2c1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-1-benzothiophen-5-amine?
The InChIKey is VXEMRNCRCSLXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NS/c1-12(13-5-3-2-4-6-13)17-15-7-8-16-14(11-15)9-10-18-16/h2-12,17H,1H3.
What are the key properties of N-(1-phenylethyl)-1-benzothiophen-5-amine?
N-(1-phenylethyl)-1-benzothiophen-5-amine has a molecular weight of 253.37 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-1-benzothiophen-5-amine is sourced from PubChem (CID 43687851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).