2-(3-phenylquinolin-2-yl)sulfanylethanamine;hydrochloride

C17H17ClN2S — CID 13200274

IUPAC2-(3-phenylquinolin-2-yl)sulfanylethanamine;hydrochloride
SMILESCl.NCCSc1nc2ccccc2cc1-c1ccccc1
InChIInChI=1S/C17H16N2S.ClH/c18-10-11-20-17-15(13-6-2-1-3-7-13)12-14-8-4-5-9-16(14)19-17;/h1-9,12H,10-11,18H2;1H
InChIKeyQENNHUFOYPFLMJ-UHFFFAOYSA-N
MW316.86 g/mol
LogP4.37
Rot. Bonds4

About 2-(3-phenylquinolin-2-yl)sulfanylethanamine;hydrochloride

2-(3-phenylquinolin-2-yl)sulfanylethanamine;hydrochloride (PubChem CID 13200274) has the molecular formula C17H17ClN2S and a molecular weight of 316.86 g/mol. Its IUPAC name is 2-(3-phenylquinolin-2-yl)sulfanylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3-phenylquinolin-2-yl)sulfanylethanamine;hydrochloride
PubChem CID13200274
Molecular FormulaC17H17ClN2S
Molecular Weight316.86 g/mol
Exact Mass316.08
IUPAC Name2-(3-phenylquinolin-2-yl)sulfanylethanamine;hydrochloride
SMILESCl.NCCSc1nc2ccccc2cc1-c1ccccc1
InChIInChI=1S/C17H16N2S.ClH/c18-10-11-20-17-15(13-6-2-1-3-7-13)12-14-8-4-5-9-16(14)19-17;/h1-9,12H,10-11,18H2;1H
InChIKeyQENNHUFOYPFLMJ-UHFFFAOYSA-N
XLogP4.37
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.86
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylquinolin-2-yl)sulfanylethanamine;hydrochloride?
The IUPAC name of 2-(3-phenylquinolin-2-yl)sulfanylethanamine;hydrochloride (CID 13200274) is 2-(3-phenylquinolin-2-yl)sulfanylethanamine;hydrochloride.
What is the SMILES notation for 2-(3-phenylquinolin-2-yl)sulfanylethanamine;hydrochloride?
The canonical SMILES for 2-(3-phenylquinolin-2-yl)sulfanylethanamine;hydrochloride is Cl.NCCSc1nc2ccccc2cc1-c1ccccc1.
What is the InChIKey of 2-(3-phenylquinolin-2-yl)sulfanylethanamine;hydrochloride?
The InChIKey is QENNHUFOYPFLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S.ClH/c18-10-11-20-17-15(13-6-2-1-3-7-13)12-14-8-4-5-9-16(14)19-17;/h1-9,12H,10-11,18H2;1H.
What are the key properties of 2-(3-phenylquinolin-2-yl)sulfanylethanamine;hydrochloride?
2-(3-phenylquinolin-2-yl)sulfanylethanamine;hydrochloride has a molecular weight of 316.86 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylquinolin-2-yl)sulfanylethanamine;hydrochloride is sourced from PubChem (CID 13200274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).