N-(2-methylsulfanylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine

C21H26N2S — CID 50858602

IUPACN-(2-methylsulfanylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
SMILESCSc1ccccc1/N=C/c1ccc2c(c1)C(C)CC(C)(C)N2C
InChIInChI=1S/C21H26N2S/c1-15-13-21(2,3)23(4)19-11-10-16(12-17(15)19)14-22-18-8-6-7-9-20(18)24-5/h6-12,14-15H,13H2,1-5H3/b22-14+
InChIKeyGANDDFULVWWQML-HYARGMPZSA-N
MW338.52 g/mol
LogP5.88
Rot. Bonds3

About N-(2-methylsulfanylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine

N-(2-methylsulfanylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine (PubChem CID 50858602) has the molecular formula C21H26N2S and a molecular weight of 338.52 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
PubChem CID50858602
Molecular FormulaC21H26N2S
Molecular Weight338.52 g/mol
Exact Mass338.18
IUPAC NameN-(2-methylsulfanylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
SMILESCSc1ccccc1/N=C/c1ccc2c(c1)C(C)CC(C)(C)N2C
InChIInChI=1S/C21H26N2S/c1-15-13-21(2,3)23(4)19-11-10-16(12-17(15)19)14-22-18-8-6-7-9-20(18)24-5/h6-12,14-15H,13H2,1-5H3/b22-14+
InChIKeyGANDDFULVWWQML-HYARGMPZSA-N
XLogP5.88
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.52
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine
CID 99865608
N-(2,4-dimethylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858531
N-(4-propan-2-ylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858559
N-(4-tert-butylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858629
N-(4-fluoro-3-methylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858542
N-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]aniline
CID 75560608
N-(2-chlorophenyl)-1-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50862687
N-[4-(4-methoxyphenoxy)phenyl]-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine
CID 99865585
N-(4-bromo-3-chlorophenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50858526
N-[4-(4-methylphenoxy)phenyl]-1-[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methanimine
CID 99865581
N-(2-chlorophenyl)-1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50859166
N-[(Z)-[(4R)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]acetamide
CID 99885591

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The IUPAC name of N-(2-methylsulfanylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine (CID 50858602) is N-(2-methylsulfanylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The canonical SMILES for N-(2-methylsulfanylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine is CSc1ccccc1/N=C/c1ccc2c(c1)C(C)CC(C)(C)N2C.
What is the InChIKey of N-(2-methylsulfanylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
The InChIKey is GANDDFULVWWQML-HYARGMPZSA-N. The full InChI is InChI=1S/C21H26N2S/c1-15-13-21(2,3)23(4)19-11-10-16(12-17(15)19)14-22-18-8-6-7-9-20(18)24-5/h6-12,14-15H,13H2,1-5H3/b22-14+.
What are the key properties of N-(2-methylsulfanylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine?
N-(2-methylsulfanylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine has a molecular weight of 338.52 g/mol, XLogP of 5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-1-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine is sourced from PubChem (CID 50858602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).