(4-methylphenyl)-thiophen-2-ylmethanamine

C12H13NS — CID 4962318

IUPAC(4-methylphenyl)-thiophen-2-ylmethanamine
SMILESCc1ccc(C(N)c2cccs2)cc1
InChIInChI=1S/C12H13NS/c1-9-4-6-10(7-5-9)12(13)11-3-2-8-14-11/h2-8,12H,13H2,1H3
InChIKeyCFTDRQBJPRGTHP-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.10
Rot. Bonds2

About (4-methylphenyl)-thiophen-2-ylmethanamine

(4-methylphenyl)-thiophen-2-ylmethanamine (PubChem CID 4962318) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is (4-methylphenyl)-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(4-methylphenyl)-thiophen-2-ylmethanamine
PubChem CID4962318
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name(4-methylphenyl)-thiophen-2-ylmethanamine
SMILESCc1ccc(C(N)c2cccs2)cc1
InChIInChI=1S/C12H13NS/c1-9-4-6-10(7-5-9)12(13)11-3-2-8-14-11/h2-8,12H,13H2,1H3
InChIKeyCFTDRQBJPRGTHP-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-thiophen-2-ylmethanamine?
The IUPAC name of (4-methylphenyl)-thiophen-2-ylmethanamine (CID 4962318) is (4-methylphenyl)-thiophen-2-ylmethanamine.
What is the SMILES notation for (4-methylphenyl)-thiophen-2-ylmethanamine?
The canonical SMILES for (4-methylphenyl)-thiophen-2-ylmethanamine is Cc1ccc(C(N)c2cccs2)cc1.
What is the InChIKey of (4-methylphenyl)-thiophen-2-ylmethanamine?
The InChIKey is CFTDRQBJPRGTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-9-4-6-10(7-5-9)12(13)11-3-2-8-14-11/h2-8,12H,13H2,1H3.
What are the key properties of (4-methylphenyl)-thiophen-2-ylmethanamine?
(4-methylphenyl)-thiophen-2-ylmethanamine has a molecular weight of 203.31 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-thiophen-2-ylmethanamine is sourced from PubChem (CID 4962318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).