(3-thiophen-3-ylphenyl)methanamine

C11H11NS — CID 19916941

IUPAC(3-thiophen-3-ylphenyl)methanamine
SMILESNCc1cccc(-c2ccsc2)c1
InChIInChI=1S/C11H11NS/c12-7-9-2-1-3-10(6-9)11-4-5-13-8-11/h1-6,8H,7,12H2
InChIKeyGBUXQFDNGWGBJH-UHFFFAOYSA-N
MW189.28 g/mol
LogP2.87
Rot. Bonds2

About (3-thiophen-3-ylphenyl)methanamine

(3-thiophen-3-ylphenyl)methanamine (PubChem CID 19916941) has the molecular formula C11H11NS and a molecular weight of 189.28 g/mol. Its IUPAC name is (3-thiophen-3-ylphenyl)methanamine.

Molecular Properties

Compound Name(3-thiophen-3-ylphenyl)methanamine
PubChem CID19916941
Molecular FormulaC11H11NS
Molecular Weight189.28 g/mol
Exact Mass189.06
IUPAC Name(3-thiophen-3-ylphenyl)methanamine
SMILESNCc1cccc(-c2ccsc2)c1
InChIInChI=1S/C11H11NS/c12-7-9-2-1-3-10(6-9)11-4-5-13-8-11/h1-6,8H,7,12H2
InChIKeyGBUXQFDNGWGBJH-UHFFFAOYSA-N
XLogP2.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-thiophen-3-ylphenyl)methanamine?
The IUPAC name of (3-thiophen-3-ylphenyl)methanamine (CID 19916941) is (3-thiophen-3-ylphenyl)methanamine.
What is the SMILES notation for (3-thiophen-3-ylphenyl)methanamine?
The canonical SMILES for (3-thiophen-3-ylphenyl)methanamine is NCc1cccc(-c2ccsc2)c1.
What is the InChIKey of (3-thiophen-3-ylphenyl)methanamine?
The InChIKey is GBUXQFDNGWGBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS/c12-7-9-2-1-3-10(6-9)11-4-5-13-8-11/h1-6,8H,7,12H2.
What are the key properties of (3-thiophen-3-ylphenyl)methanamine?
(3-thiophen-3-ylphenyl)methanamine has a molecular weight of 189.28 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-thiophen-3-ylphenyl)methanamine is sourced from PubChem (CID 19916941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).