1-phenyl-N-(thiophen-2-ylmethyl)methanamine

C12H13NS — CID 961320

IUPAC1-phenyl-N-(thiophen-2-ylmethyl)methanamine
SMILESc1ccc(CNCc2cccs2)cc1
InChIInChI=1S/C12H13NS/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h1-8,13H,9-10H2
InChIKeyGEWKIDGKZRKUFB-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.04
Rot. Bonds4

About 1-phenyl-N-(thiophen-2-ylmethyl)methanamine

1-phenyl-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 961320) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 1-phenyl-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-phenyl-N-(thiophen-2-ylmethyl)methanamine
PubChem CID961320
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name1-phenyl-N-(thiophen-2-ylmethyl)methanamine
SMILESc1ccc(CNCc2cccs2)cc1
InChIInChI=1S/C12H13NS/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h1-8,13H,9-10H2
InChIKeyGEWKIDGKZRKUFB-UHFFFAOYSA-N
XLogP3.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-phenyl-N-(thiophen-2-ylmethyl)methanamine (CID 961320) is 1-phenyl-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-phenyl-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-phenyl-N-(thiophen-2-ylmethyl)methanamine is c1ccc(CNCc2cccs2)cc1.
What is the InChIKey of 1-phenyl-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is GEWKIDGKZRKUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h1-8,13H,9-10H2.
What are the key properties of 1-phenyl-N-(thiophen-2-ylmethyl)methanamine?
1-phenyl-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 203.31 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 961320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).