N,N-dimethyl-2-[3-(4-methylphenyl)quinolin-2-yl]sulfanylethanamine;hydrochloride

C20H23ClN2S — CID 13200215

IUPACN,N-dimethyl-2-[3-(4-methylphenyl)quinolin-2-yl]sulfanylethanamine;hydrochloride
SMILESCc1ccc(-c2cc3ccccc3nc2SCCN(C)C)cc1.Cl
InChIInChI=1S/C20H22N2S.ClH/c1-15-8-10-16(11-9-15)18-14-17-6-4-5-7-19(17)21-20(18)23-13-12-22(2)3;/h4-11,14H,12-13H2,1-3H3;1H
InChIKeyYHHMLHDKVCURBX-UHFFFAOYSA-N
MW358.94 g/mol
LogP5.29
Rot. Bonds5

About N,N-dimethyl-2-[3-(4-methylphenyl)quinolin-2-yl]sulfanylethanamine;hydrochloride

N,N-dimethyl-2-[3-(4-methylphenyl)quinolin-2-yl]sulfanylethanamine;hydrochloride (PubChem CID 13200215) has the molecular formula C20H23ClN2S and a molecular weight of 358.94 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-(4-methylphenyl)quinolin-2-yl]sulfanylethanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(4-methylphenyl)quinolin-2-yl]sulfanylethanamine;hydrochloride
PubChem CID13200215
Molecular FormulaC20H23ClN2S
Molecular Weight358.94 g/mol
Exact Mass358.13
IUPAC NameN,N-dimethyl-2-[3-(4-methylphenyl)quinolin-2-yl]sulfanylethanamine;hydrochloride
SMILESCc1ccc(-c2cc3ccccc3nc2SCCN(C)C)cc1.Cl
InChIInChI=1S/C20H22N2S.ClH/c1-15-8-10-16(11-9-15)18-14-17-6-4-5-7-19(17)21-20(18)23-13-12-22(2)3;/h4-11,14H,12-13H2,1-3H3;1H
InChIKeyYHHMLHDKVCURBX-UHFFFAOYSA-N
XLogP5.29
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.94
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-(4-methylphenyl)quinolin-2-yl]sulfanylethanamine;hydrochloride?
The IUPAC name of N,N-dimethyl-2-[3-(4-methylphenyl)quinolin-2-yl]sulfanylethanamine;hydrochloride (CID 13200215) is N,N-dimethyl-2-[3-(4-methylphenyl)quinolin-2-yl]sulfanylethanamine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-2-[3-(4-methylphenyl)quinolin-2-yl]sulfanylethanamine;hydrochloride?
The canonical SMILES for N,N-dimethyl-2-[3-(4-methylphenyl)quinolin-2-yl]sulfanylethanamine;hydrochloride is Cc1ccc(-c2cc3ccccc3nc2SCCN(C)C)cc1.Cl.
What is the InChIKey of N,N-dimethyl-2-[3-(4-methylphenyl)quinolin-2-yl]sulfanylethanamine;hydrochloride?
The InChIKey is YHHMLHDKVCURBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2S.ClH/c1-15-8-10-16(11-9-15)18-14-17-6-4-5-7-19(17)21-20(18)23-13-12-22(2)3;/h4-11,14H,12-13H2,1-3H3;1H.
What are the key properties of N,N-dimethyl-2-[3-(4-methylphenyl)quinolin-2-yl]sulfanylethanamine;hydrochloride?
N,N-dimethyl-2-[3-(4-methylphenyl)quinolin-2-yl]sulfanylethanamine;hydrochloride has a molecular weight of 358.94 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-(4-methylphenyl)quinolin-2-yl]sulfanylethanamine;hydrochloride is sourced from PubChem (CID 13200215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).