(2-thiophen-2-ylphenyl)methanamine;hydrochloride

C11H12ClNS — CID 18525724

IUPAC(2-thiophen-2-ylphenyl)methanamine;hydrochloride
SMILESCl.NCc1ccccc1-c1cccs1
InChIInChI=1S/C11H11NS.ClH/c12-8-9-4-1-2-5-10(9)11-6-3-7-13-11;/h1-7H,8,12H2;1H
InChIKeyXLJIHGHEJAGJJC-UHFFFAOYSA-N
MW225.74 g/mol
LogP3.30
Rot. Bonds2

About (2-thiophen-2-ylphenyl)methanamine;hydrochloride

(2-thiophen-2-ylphenyl)methanamine;hydrochloride (PubChem CID 18525724) has the molecular formula C11H12ClNS and a molecular weight of 225.74 g/mol. Its IUPAC name is (2-thiophen-2-ylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2-thiophen-2-ylphenyl)methanamine;hydrochloride
PubChem CID18525724
Molecular FormulaC11H12ClNS
Molecular Weight225.74 g/mol
Exact Mass225.04
IUPAC Name(2-thiophen-2-ylphenyl)methanamine;hydrochloride
SMILESCl.NCc1ccccc1-c1cccs1
InChIInChI=1S/C11H11NS.ClH/c12-8-9-4-1-2-5-10(9)11-6-3-7-13-11;/h1-7H,8,12H2;1H
InChIKeyXLJIHGHEJAGJJC-UHFFFAOYSA-N
XLogP3.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.74
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-thiophen-2-ylphenyl)methanamine;hydrochloride?
The IUPAC name of (2-thiophen-2-ylphenyl)methanamine;hydrochloride (CID 18525724) is (2-thiophen-2-ylphenyl)methanamine;hydrochloride.
What is the SMILES notation for (2-thiophen-2-ylphenyl)methanamine;hydrochloride?
The canonical SMILES for (2-thiophen-2-ylphenyl)methanamine;hydrochloride is Cl.NCc1ccccc1-c1cccs1.
What is the InChIKey of (2-thiophen-2-ylphenyl)methanamine;hydrochloride?
The InChIKey is XLJIHGHEJAGJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS.ClH/c12-8-9-4-1-2-5-10(9)11-6-3-7-13-11;/h1-7H,8,12H2;1H.
What are the key properties of (2-thiophen-2-ylphenyl)methanamine;hydrochloride?
(2-thiophen-2-ylphenyl)methanamine;hydrochloride has a molecular weight of 225.74 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thiophen-2-ylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 18525724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).