[3-(5-methylthiophen-3-yl)phenyl]methanamine

C12H13NS — CID 65100908

IUPAC[3-(5-methylthiophen-3-yl)phenyl]methanamine
SMILESCc1cc(-c2cccc(CN)c2)cs1
InChIInChI=1S/C12H13NS/c1-9-5-12(8-14-9)11-4-2-3-10(6-11)7-13/h2-6,8H,7,13H2,1H3
InChIKeyPGWPEIABWWJYEY-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.18
Rot. Bonds2

About [3-(5-methylthiophen-3-yl)phenyl]methanamine

[3-(5-methylthiophen-3-yl)phenyl]methanamine (PubChem CID 65100908) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is [3-(5-methylthiophen-3-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(5-methylthiophen-3-yl)phenyl]methanamine
PubChem CID65100908
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name[3-(5-methylthiophen-3-yl)phenyl]methanamine
SMILESCc1cc(-c2cccc(CN)c2)cs1
InChIInChI=1S/C12H13NS/c1-9-5-12(8-14-9)11-4-2-3-10(6-11)7-13/h2-6,8H,7,13H2,1H3
InChIKeyPGWPEIABWWJYEY-UHFFFAOYSA-N
XLogP3.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(5-methylthiophen-3-yl)phenyl]methanamine?
The IUPAC name of [3-(5-methylthiophen-3-yl)phenyl]methanamine (CID 65100908) is [3-(5-methylthiophen-3-yl)phenyl]methanamine.
What is the SMILES notation for [3-(5-methylthiophen-3-yl)phenyl]methanamine?
The canonical SMILES for [3-(5-methylthiophen-3-yl)phenyl]methanamine is Cc1cc(-c2cccc(CN)c2)cs1.
What is the InChIKey of [3-(5-methylthiophen-3-yl)phenyl]methanamine?
The InChIKey is PGWPEIABWWJYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-9-5-12(8-14-9)11-4-2-3-10(6-11)7-13/h2-6,8H,7,13H2,1H3.
What are the key properties of [3-(5-methylthiophen-3-yl)phenyl]methanamine?
[3-(5-methylthiophen-3-yl)phenyl]methanamine has a molecular weight of 203.31 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methylthiophen-3-yl)phenyl]methanamine is sourced from PubChem (CID 65100908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).