(5-methyl-2-thiophen-3-ylphenyl)methanamine;hydrochloride

C12H14ClNS — CID 172650486

IUPAC(5-methyl-2-thiophen-3-ylphenyl)methanamine;hydrochloride
SMILESCc1ccc(-c2ccsc2)c(CN)c1.Cl
InChIInChI=1S/C12H13NS.ClH/c1-9-2-3-12(11(6-9)7-13)10-4-5-14-8-10;/h2-6,8H,7,13H2,1H3;1H
InChIKeyGDIYOEXVRKIMJB-UHFFFAOYSA-N
MW239.77 g/mol
LogP3.60
Rot. Bonds2

About (5-methyl-2-thiophen-3-ylphenyl)methanamine;hydrochloride

(5-methyl-2-thiophen-3-ylphenyl)methanamine;hydrochloride (PubChem CID 172650486) has the molecular formula C12H14ClNS and a molecular weight of 239.77 g/mol. Its IUPAC name is (5-methyl-2-thiophen-3-ylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-methyl-2-thiophen-3-ylphenyl)methanamine;hydrochloride
PubChem CID172650486
Molecular FormulaC12H14ClNS
Molecular Weight239.77 g/mol
Exact Mass239.05
IUPAC Name(5-methyl-2-thiophen-3-ylphenyl)methanamine;hydrochloride
SMILESCc1ccc(-c2ccsc2)c(CN)c1.Cl
InChIInChI=1S/C12H13NS.ClH/c1-9-2-3-12(11(6-9)7-13)10-4-5-14-8-10;/h2-6,8H,7,13H2,1H3;1H
InChIKeyGDIYOEXVRKIMJB-UHFFFAOYSA-N
XLogP3.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.77
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-thiophen-3-ylphenyl)methanamine;hydrochloride?
The IUPAC name of (5-methyl-2-thiophen-3-ylphenyl)methanamine;hydrochloride (CID 172650486) is (5-methyl-2-thiophen-3-ylphenyl)methanamine;hydrochloride.
What is the SMILES notation for (5-methyl-2-thiophen-3-ylphenyl)methanamine;hydrochloride?
The canonical SMILES for (5-methyl-2-thiophen-3-ylphenyl)methanamine;hydrochloride is Cc1ccc(-c2ccsc2)c(CN)c1.Cl.
What is the InChIKey of (5-methyl-2-thiophen-3-ylphenyl)methanamine;hydrochloride?
The InChIKey is GDIYOEXVRKIMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS.ClH/c1-9-2-3-12(11(6-9)7-13)10-4-5-14-8-10;/h2-6,8H,7,13H2,1H3;1H.
What are the key properties of (5-methyl-2-thiophen-3-ylphenyl)methanamine;hydrochloride?
(5-methyl-2-thiophen-3-ylphenyl)methanamine;hydrochloride has a molecular weight of 239.77 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-thiophen-3-ylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 172650486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).