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

C18H19ClN2S — CID 13200208

IUPACN-methyl-2-(3-phenylquinolin-2-yl)sulfanylethanamine;hydrochloride
SMILESCNCCSc1nc2ccccc2cc1-c1ccccc1.Cl
InChIInChI=1S/C18H18N2S.ClH/c1-19-11-12-21-18-16(14-7-3-2-4-8-14)13-15-9-5-6-10-17(15)20-18;/h2-10,13,19H,11-12H2,1H3;1H
InChIKeyIJPHQUUJCRLHOH-UHFFFAOYSA-N
MW330.88 g/mol
LogP4.64
Rot. Bonds5

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

N-methyl-2-(3-phenylquinolin-2-yl)sulfanylethanamine;hydrochloride (PubChem CID 13200208) has the molecular formula C18H19ClN2S and a molecular weight of 330.88 g/mol. Its IUPAC name is N-methyl-2-(3-phenylquinolin-2-yl)sulfanylethanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-(3-phenylquinolin-2-yl)sulfanylethanamine;hydrochloride
PubChem CID13200208
Molecular FormulaC18H19ClN2S
Molecular Weight330.88 g/mol
Exact Mass330.10
IUPAC NameN-methyl-2-(3-phenylquinolin-2-yl)sulfanylethanamine;hydrochloride
SMILESCNCCSc1nc2ccccc2cc1-c1ccccc1.Cl
InChIInChI=1S/C18H18N2S.ClH/c1-19-11-12-21-18-16(14-7-3-2-4-8-14)13-15-9-5-6-10-17(15)20-18;/h2-10,13,19H,11-12H2,1H3;1H
InChIKeyIJPHQUUJCRLHOH-UHFFFAOYSA-N
XLogP4.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Phenyl-4-(2-(4-piperidinyl)ethyl)quinoline
CID 71219
2-((2-(Dimethylamino)ethyl)thio)-3-phenylquinoline
CID 122265
N-[8-(1,2,3,4-Tetrahydroacridin-9-ylthio)octyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 6540271
9-(3'-Dimethylaminopropylamino)acridine
CID 14169
N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine
CID 657093
9-(7-Aminoheptylamino)-1,2,3,4-tetrahydroacridine
CID 10662852
N-Butyl-1,2,3,4-tetrahydro-9-acridinamine
CID 9423
Ethanamine, N,N-dimethyl-2-((3-phenyl-2-quinolinyl)thio)-, hydrochloride (1:1)
CID 174433
2-(Phenylthio)quinoline
CID 89621
Methyl[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl][4-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)butyl]amine
CID 11330142
N-heptyl-1,2,3,4-tetrahydroacridin-9-amine hydrochloride
CID 3087102
N-[7-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)heptyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 11113934

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-phenylquinolin-2-yl)sulfanylethanamine;hydrochloride?
The IUPAC name of N-methyl-2-(3-phenylquinolin-2-yl)sulfanylethanamine;hydrochloride (CID 13200208) is N-methyl-2-(3-phenylquinolin-2-yl)sulfanylethanamine;hydrochloride.
What is the SMILES notation for N-methyl-2-(3-phenylquinolin-2-yl)sulfanylethanamine;hydrochloride?
The canonical SMILES for N-methyl-2-(3-phenylquinolin-2-yl)sulfanylethanamine;hydrochloride is CNCCSc1nc2ccccc2cc1-c1ccccc1.Cl.
What is the InChIKey of N-methyl-2-(3-phenylquinolin-2-yl)sulfanylethanamine;hydrochloride?
The InChIKey is IJPHQUUJCRLHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S.ClH/c1-19-11-12-21-18-16(14-7-3-2-4-8-14)13-15-9-5-6-10-17(15)20-18;/h2-10,13,19H,11-12H2,1H3;1H.
What are the key properties of N-methyl-2-(3-phenylquinolin-2-yl)sulfanylethanamine;hydrochloride?
N-methyl-2-(3-phenylquinolin-2-yl)sulfanylethanamine;hydrochloride has a molecular weight of 330.88 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-phenylquinolin-2-yl)sulfanylethanamine;hydrochloride is sourced from PubChem (CID 13200208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).