N-methyl-1-(3-methylthiophen-2-yl)-1-quinolin-5-ylmethanamine

C16H16N2S — CID 115604972

IUPACN-methyl-1-(3-methylthiophen-2-yl)-1-quinolin-5-ylmethanamine
SMILESCNC(c1sccc1C)c1cccc2ncccc12
InChIInChI=1S/C16H16N2S/c1-11-8-10-19-16(11)15(17-2)13-5-3-7-14-12(13)6-4-9-18-14/h3-10,15,17H,1-2H3
InChIKeyRETJTDCOSHNXPO-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.91
Rot. Bonds3

About N-methyl-1-(3-methylthiophen-2-yl)-1-quinolin-5-ylmethanamine

N-methyl-1-(3-methylthiophen-2-yl)-1-quinolin-5-ylmethanamine (PubChem CID 115604972) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-methyl-1-(3-methylthiophen-2-yl)-1-quinolin-5-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methylthiophen-2-yl)-1-quinolin-5-ylmethanamine
PubChem CID115604972
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC NameN-methyl-1-(3-methylthiophen-2-yl)-1-quinolin-5-ylmethanamine
SMILESCNC(c1sccc1C)c1cccc2ncccc12
InChIInChI=1S/C16H16N2S/c1-11-8-10-19-16(11)15(17-2)13-5-3-7-14-12(13)6-4-9-18-14/h3-10,15,17H,1-2H3
InChIKeyRETJTDCOSHNXPO-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

N-methyl-1-(5-methylthiophen-3-yl)-1-quinolin-5-ylmethanamine
CID 105155662
1-(2,3-dimethoxyphenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 105166530
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-5-ylmethanamine
CID 105020135
1-(3,5-dimethylphenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 105020075
N-methyl-1-(3-methylphenyl)-1-quinolin-5-ylmethanamine
CID 81220394
1-(2-iodophenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 105020092
N-methyl-2-[methylamino-(3-methylthiophen-2-yl)methyl]aniline
CID 67733700
1-(4-fluorophenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 78917800
N-methyl-1-(3-methylthiophen-2-yl)-1-(1,3-thiazol-2-yl)methanamine
CID 61346189
N-methyl-1-(2-methylthiophen-3-yl)-1-(3-methylthiophen-2-yl)methanamine
CID 102841226
1-(5-fluoro-3-pyridinyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 105102666
1-(2,4-dichlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 115604968

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylthiophen-2-yl)-1-quinolin-5-ylmethanamine?
The IUPAC name of N-methyl-1-(3-methylthiophen-2-yl)-1-quinolin-5-ylmethanamine (CID 115604972) is N-methyl-1-(3-methylthiophen-2-yl)-1-quinolin-5-ylmethanamine.
What is the SMILES notation for N-methyl-1-(3-methylthiophen-2-yl)-1-quinolin-5-ylmethanamine?
The canonical SMILES for N-methyl-1-(3-methylthiophen-2-yl)-1-quinolin-5-ylmethanamine is CNC(c1sccc1C)c1cccc2ncccc12.
What is the InChIKey of N-methyl-1-(3-methylthiophen-2-yl)-1-quinolin-5-ylmethanamine?
The InChIKey is RETJTDCOSHNXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-11-8-10-19-16(11)15(17-2)13-5-3-7-14-12(13)6-4-9-18-14/h3-10,15,17H,1-2H3.
What are the key properties of N-methyl-1-(3-methylthiophen-2-yl)-1-quinolin-5-ylmethanamine?
N-methyl-1-(3-methylthiophen-2-yl)-1-quinolin-5-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-(3-methylthiophen-2-yl)-1-quinolin-5-ylmethanamine is sourced from PubChem (CID 115604972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).