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

C13H16ClNOS — CID 172650500

IUPAC(5-ethoxy-2-thiophen-3-ylphenyl)methanamine;hydrochloride
SMILESCCOc1ccc(-c2ccsc2)c(CN)c1.Cl
InChIInChI=1S/C13H15NOS.ClH/c1-2-15-12-3-4-13(11(7-12)8-14)10-5-6-16-9-10;/h3-7,9H,2,8,14H2,1H3;1H
InChIKeyRAZQVGWUCNOTMS-UHFFFAOYSA-N
MW269.80 g/mol
LogP3.69
Rot. Bonds4

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

(5-ethoxy-2-thiophen-3-ylphenyl)methanamine;hydrochloride (PubChem CID 172650500) has the molecular formula C13H16ClNOS and a molecular weight of 269.80 g/mol. Its IUPAC name is (5-ethoxy-2-thiophen-3-ylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-ethoxy-2-thiophen-3-ylphenyl)methanamine;hydrochloride
PubChem CID172650500
Molecular FormulaC13H16ClNOS
Molecular Weight269.80 g/mol
Exact Mass269.06
IUPAC Name(5-ethoxy-2-thiophen-3-ylphenyl)methanamine;hydrochloride
SMILESCCOc1ccc(-c2ccsc2)c(CN)c1.Cl
InChIInChI=1S/C13H15NOS.ClH/c1-2-15-12-3-4-13(11(7-12)8-14)10-5-6-16-9-10;/h3-7,9H,2,8,14H2,1H3;1H
InChIKeyRAZQVGWUCNOTMS-UHFFFAOYSA-N
XLogP3.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-2-thiophen-3-ylphenyl)methanamine;hydrochloride?
The IUPAC name of (5-ethoxy-2-thiophen-3-ylphenyl)methanamine;hydrochloride (CID 172650500) is (5-ethoxy-2-thiophen-3-ylphenyl)methanamine;hydrochloride.
What is the SMILES notation for (5-ethoxy-2-thiophen-3-ylphenyl)methanamine;hydrochloride?
The canonical SMILES for (5-ethoxy-2-thiophen-3-ylphenyl)methanamine;hydrochloride is CCOc1ccc(-c2ccsc2)c(CN)c1.Cl.
What is the InChIKey of (5-ethoxy-2-thiophen-3-ylphenyl)methanamine;hydrochloride?
The InChIKey is RAZQVGWUCNOTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS.ClH/c1-2-15-12-3-4-13(11(7-12)8-14)10-5-6-16-9-10;/h3-7,9H,2,8,14H2,1H3;1H.
What are the key properties of (5-ethoxy-2-thiophen-3-ylphenyl)methanamine;hydrochloride?
(5-ethoxy-2-thiophen-3-ylphenyl)methanamine;hydrochloride has a molecular weight of 269.80 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxy-2-thiophen-3-ylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 172650500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).