(2-phenyl-1-benzothiophen-3-yl)methanamine

C15H13NS — CID 16639896

IUPAC(2-phenyl-1-benzothiophen-3-yl)methanamine
SMILESNCc1c(-c2ccccc2)sc2ccccc12
InChIInChI=1S/C15H13NS/c16-10-13-12-8-4-5-9-14(12)17-15(13)11-6-2-1-3-7-11/h1-9H,10,16H2
InChIKeyDJYBQYLOPJBVRZ-UHFFFAOYSA-N
MW239.34 g/mol
LogP4.03
Rot. Bonds2

About (2-phenyl-1-benzothiophen-3-yl)methanamine

(2-phenyl-1-benzothiophen-3-yl)methanamine (PubChem CID 16639896) has the molecular formula C15H13NS and a molecular weight of 239.34 g/mol. Its IUPAC name is (2-phenyl-1-benzothiophen-3-yl)methanamine.

Molecular Properties

Compound Name(2-phenyl-1-benzothiophen-3-yl)methanamine
PubChem CID16639896
Molecular FormulaC15H13NS
Molecular Weight239.34 g/mol
Exact Mass239.08
IUPAC Name(2-phenyl-1-benzothiophen-3-yl)methanamine
SMILESNCc1c(-c2ccccc2)sc2ccccc12
InChIInChI=1S/C15H13NS/c16-10-13-12-8-4-5-9-14(12)17-15(13)11-6-2-1-3-7-11/h1-9H,10,16H2
InChIKeyDJYBQYLOPJBVRZ-UHFFFAOYSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1-benzothiophen-3-yl)methanamine?
The IUPAC name of (2-phenyl-1-benzothiophen-3-yl)methanamine (CID 16639896) is (2-phenyl-1-benzothiophen-3-yl)methanamine.
What is the SMILES notation for (2-phenyl-1-benzothiophen-3-yl)methanamine?
The canonical SMILES for (2-phenyl-1-benzothiophen-3-yl)methanamine is NCc1c(-c2ccccc2)sc2ccccc12.
What is the InChIKey of (2-phenyl-1-benzothiophen-3-yl)methanamine?
The InChIKey is DJYBQYLOPJBVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NS/c16-10-13-12-8-4-5-9-14(12)17-15(13)11-6-2-1-3-7-11/h1-9H,10,16H2.
What are the key properties of (2-phenyl-1-benzothiophen-3-yl)methanamine?
(2-phenyl-1-benzothiophen-3-yl)methanamine has a molecular weight of 239.34 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1-benzothiophen-3-yl)methanamine is sourced from PubChem (CID 16639896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).