N-methyl-1-(4-methylsulfanylphenyl)-1-quinolin-8-ylmethanamine

C18H18N2S — CID 105021332

IUPACN-methyl-1-(4-methylsulfanylphenyl)-1-quinolin-8-ylmethanamine
SMILESCNC(c1ccc(SC)cc1)c1cccc2cccnc12
InChIInChI=1S/C18H18N2S/c1-19-17(14-8-10-15(21-2)11-9-14)16-7-3-5-13-6-4-12-20-18(13)16/h3-12,17,19H,1-2H3
InChIKeyCTMFDXQWWMREIZ-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.27
Rot. Bonds4

About N-methyl-1-(4-methylsulfanylphenyl)-1-quinolin-8-ylmethanamine

N-methyl-1-(4-methylsulfanylphenyl)-1-quinolin-8-ylmethanamine (PubChem CID 105021332) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-methyl-1-(4-methylsulfanylphenyl)-1-quinolin-8-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylsulfanylphenyl)-1-quinolin-8-ylmethanamine
PubChem CID105021332
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC NameN-methyl-1-(4-methylsulfanylphenyl)-1-quinolin-8-ylmethanamine
SMILESCNC(c1ccc(SC)cc1)c1cccc2cccnc12
InChIInChI=1S/C18H18N2S/c1-19-17(14-8-10-15(21-2)11-9-14)16-7-3-5-13-6-4-12-20-18(13)16/h3-12,17,19H,1-2H3
InChIKeyCTMFDXQWWMREIZ-UHFFFAOYSA-N
XLogP4.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N-methyl-1-quinolin-8-ylmethanamine
CID 78917786
1-(2,6-difluorophenyl)-N-methyl-1-quinolin-8-ylmethanamine
CID 81229518
N-methyl-1-(2-methyl-4-pyridinyl)-1-quinolin-8-ylmethanamine
CID 106755698
N-methyl-1-(2-methyl-3-pyridinyl)-1-quinolin-8-ylmethanamine
CID 105172443
N-methyl-1-(5-methylthiophen-3-yl)-1-quinolin-8-ylmethanamine
CID 105155395
1-(5-bromothiophen-3-yl)-N-methyl-1-quinolin-8-ylmethanamine
CID 105172538
N-methyl-1-(5-methyl-3-pyridinyl)-1-quinolin-8-ylmethanamine
CID 105172541
[(4-fluorophenyl)-quinolin-8-ylmethyl]hydrazine
CID 105192623
N-methyl-1-(4-methylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115853933
1-(2-fluoro-4-methylphenyl)-N-methyl-1-quinolin-8-ylmethanamine
CID 105021150
1-(5-chlorofuran-2-yl)-N-methyl-1-quinolin-8-ylmethanamine
CID 106692805
N-methyl-1-(5-methylpyrazin-2-yl)-1-quinolin-8-ylmethanamine
CID 105172471

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylsulfanylphenyl)-1-quinolin-8-ylmethanamine?
The IUPAC name of N-methyl-1-(4-methylsulfanylphenyl)-1-quinolin-8-ylmethanamine (CID 105021332) is N-methyl-1-(4-methylsulfanylphenyl)-1-quinolin-8-ylmethanamine.
What is the SMILES notation for N-methyl-1-(4-methylsulfanylphenyl)-1-quinolin-8-ylmethanamine?
The canonical SMILES for N-methyl-1-(4-methylsulfanylphenyl)-1-quinolin-8-ylmethanamine is CNC(c1ccc(SC)cc1)c1cccc2cccnc12.
What is the InChIKey of N-methyl-1-(4-methylsulfanylphenyl)-1-quinolin-8-ylmethanamine?
The InChIKey is CTMFDXQWWMREIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-19-17(14-8-10-15(21-2)11-9-14)16-7-3-5-13-6-4-12-20-18(13)16/h3-12,17,19H,1-2H3.
What are the key properties of N-methyl-1-(4-methylsulfanylphenyl)-1-quinolin-8-ylmethanamine?
N-methyl-1-(4-methylsulfanylphenyl)-1-quinolin-8-ylmethanamine has a molecular weight of 294.42 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylsulfanylphenyl)-1-quinolin-8-ylmethanamine is sourced from PubChem (CID 105021332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).