1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-5-ylmethanamine

C17H18N2S — CID 105020135

IUPAC1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-5-ylmethanamine
SMILESCNC(c1cc(C)c(C)s1)c1cccc2ncccc12
InChIInChI=1S/C17H18N2S/c1-11-10-16(20-12(11)2)17(18-3)14-6-4-8-15-13(14)7-5-9-19-15/h4-10,17-18H,1-3H3
InChIKeyQWTCHSQTRKHYJI-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.22
Rot. Bonds3

About 1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-5-ylmethanamine

1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-5-ylmethanamine (PubChem CID 105020135) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-5-ylmethanamine.

Molecular Properties

Compound Name1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-5-ylmethanamine
PubChem CID105020135
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-5-ylmethanamine
SMILESCNC(c1cc(C)c(C)s1)c1cccc2ncccc12
InChIInChI=1S/C17H18N2S/c1-11-10-16(20-12(11)2)17(18-3)14-6-4-8-15-13(14)7-5-9-19-15/h4-10,17-18H,1-3H3
InChIKeyQWTCHSQTRKHYJI-UHFFFAOYSA-N
XLogP4.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,5-dimethylthiophen-2-yl)-quinolin-5-ylmethyl]ethanamine
CID 105020108
[(5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethyl]hydrazine
CID 105326977
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-6-ylmethanamine
CID 105020999
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-7-ylmethanamine
CID 105021513
1-(3,5-dimethylphenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 105020075
N-methyl-1-(3-methylthiophen-2-yl)-1-quinolin-5-ylmethanamine
CID 115604972
N-methyl-1-(5-methylthiophen-3-yl)-1-quinolin-5-ylmethanamine
CID 105155662
1-(4,5-dimethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine
CID 65239047
N-methyl-1-(3-methylphenyl)-1-quinolin-5-ylmethanamine
CID 81220394
(5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethanol
CID 115826296
1-(2-iodophenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 105020092
1-(3-bromo-2-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 106647705

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-5-ylmethanamine?
The IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-5-ylmethanamine (CID 105020135) is 1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-5-ylmethanamine.
What is the SMILES notation for 1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-5-ylmethanamine?
The canonical SMILES for 1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-5-ylmethanamine is CNC(c1cc(C)c(C)s1)c1cccc2ncccc12.
What is the InChIKey of 1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-5-ylmethanamine?
The InChIKey is QWTCHSQTRKHYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-11-10-16(20-12(11)2)17(18-3)14-6-4-8-15-13(14)7-5-9-19-15/h4-10,17-18H,1-3H3.
What are the key properties of 1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-5-ylmethanamine?
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-5-ylmethanamine has a molecular weight of 282.41 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-5-ylmethanamine is sourced from PubChem (CID 105020135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).