N-methyl-1-(2-methylthiophen-3-yl)-1-quinolin-2-ylmethanamine

C16H16N2S — CID 102832467

IUPACN-methyl-1-(2-methylthiophen-3-yl)-1-quinolin-2-ylmethanamine
SMILESCNC(c1ccc2ccccc2n1)c1ccsc1C
InChIInChI=1S/C16H16N2S/c1-11-13(9-10-19-11)16(17-2)15-8-7-12-5-3-4-6-14(12)18-15/h3-10,16-17H,1-2H3
InChIKeyZEUBOFBDDMPUQN-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.91
Rot. Bonds3

About N-methyl-1-(2-methylthiophen-3-yl)-1-quinolin-2-ylmethanamine

N-methyl-1-(2-methylthiophen-3-yl)-1-quinolin-2-ylmethanamine (PubChem CID 102832467) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-methyl-1-(2-methylthiophen-3-yl)-1-quinolin-2-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylthiophen-3-yl)-1-quinolin-2-ylmethanamine
PubChem CID102832467
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC NameN-methyl-1-(2-methylthiophen-3-yl)-1-quinolin-2-ylmethanamine
SMILESCNC(c1ccc2ccccc2n1)c1ccsc1C
InChIInChI=1S/C16H16N2S/c1-11-13(9-10-19-11)16(17-2)15-8-7-12-5-3-4-6-14(12)18-15/h3-10,16-17H,1-2H3
InChIKeyZEUBOFBDDMPUQN-UHFFFAOYSA-N
XLogP3.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethylphenyl)-N-methyl-1-quinolin-2-ylmethanamine
CID 63222475
1-(2,5-difluorophenyl)-N-methyl-1-quinolin-2-ylmethanamine
CID 63222517
N-methyl-1-(2-methylthiophen-3-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 102840364
N-[(2-methylthiophen-3-yl)-quinoxalin-2-ylmethyl]propan-1-amine
CID 107357477
N-methyl-1-(2-methylthiophen-3-yl)-1-quinoxalin-5-ylmethanamine
CID 102841956
(2-methylthiophen-3-yl)-quinoxalin-2-ylmethanol
CID 107357767
[quinolin-2-yl(thiophen-2-yl)methyl]hydrazine
CID 105218654
N-methyl-1-(2-methylthiophen-3-yl)-1-(3-methylthiophen-2-yl)methanamine
CID 102841226
(3-methylthiophen-2-yl)-quinolin-2-ylmethanol
CID 79992149
1-(3-methoxypyrazin-2-yl)-N-methyl-1-quinolin-2-ylmethanamine
CID 104515575
1-(5-fluoro-3-pyridinyl)-N-methyl-1-quinolin-2-ylmethanamine
CID 63222854
N-methyl-1-(4-methylthiadiazol-5-yl)-1-(2-methylthiophen-3-yl)methanamine
CID 102841311

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylthiophen-3-yl)-1-quinolin-2-ylmethanamine?
The IUPAC name of N-methyl-1-(2-methylthiophen-3-yl)-1-quinolin-2-ylmethanamine (CID 102832467) is N-methyl-1-(2-methylthiophen-3-yl)-1-quinolin-2-ylmethanamine.
What is the SMILES notation for N-methyl-1-(2-methylthiophen-3-yl)-1-quinolin-2-ylmethanamine?
The canonical SMILES for N-methyl-1-(2-methylthiophen-3-yl)-1-quinolin-2-ylmethanamine is CNC(c1ccc2ccccc2n1)c1ccsc1C.
What is the InChIKey of N-methyl-1-(2-methylthiophen-3-yl)-1-quinolin-2-ylmethanamine?
The InChIKey is ZEUBOFBDDMPUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-11-13(9-10-19-11)16(17-2)15-8-7-12-5-3-4-6-14(12)18-15/h3-10,16-17H,1-2H3.
What are the key properties of N-methyl-1-(2-methylthiophen-3-yl)-1-quinolin-2-ylmethanamine?
N-methyl-1-(2-methylthiophen-3-yl)-1-quinolin-2-ylmethanamine has a molecular weight of 268.38 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylthiophen-3-yl)-1-quinolin-2-ylmethanamine is sourced from PubChem (CID 102832467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).