1-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine

C16H15ClN2S — CID 105173392

IUPAC1-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine
SMILESCNC(c1ccc(Cl)s1)c1cc(C)nc2ccccc12
InChIInChI=1S/C16H15ClN2S/c1-10-9-12(11-5-3-4-6-13(11)19-10)16(18-2)14-7-8-15(17)20-14/h3-9,16,18H,1-2H3
InChIKeyCAQIAFLRIAOVDH-UHFFFAOYSA-N
MW302.83 g/mol
LogP4.57
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine

1-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine (PubChem CID 105173392) has the molecular formula C16H15ClN2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine
PubChem CID105173392
Molecular FormulaC16H15ClN2S
Molecular Weight302.83 g/mol
Exact Mass302.06
IUPAC Name1-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine
SMILESCNC(c1ccc(Cl)s1)c1cc(C)nc2ccccc12
InChIInChI=1S/C16H15ClN2S/c1-10-9-12(11-5-3-4-6-13(11)19-10)16(18-2)14-7-8-15(17)20-14/h3-9,16,18H,1-2H3
InChIKeyCAQIAFLRIAOVDH-UHFFFAOYSA-N
XLogP4.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine
CID 105076264
N-methyl-1-(1-methylpyrazol-3-yl)-1-(2-methylquinolin-4-yl)methanamine
CID 103135765
N-methyl-3-(2-methylquinolin-4-yl)butan-2-amine
CID 63199652
N-methyl-1-(2-methylquinolin-4-yl)butan-1-amine
CID 105080240
1-(2,3-dihydrofuran-5-yl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine
CID 102653080
(4-chlorophenyl)-(2-methylquinolin-4-yl)methanol
CID 79234879
2-cyclobutyl-N-methyl-1-(2-methylquinolin-4-yl)ethanamine
CID 105151599
[(2-methylquinolin-4-yl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105322432
1-(5-chlorothiophen-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 115850814
[(4-bromothiophen-3-yl)-(2-methylquinolin-4-yl)methyl]hydrazine
CID 105322666
N-methyl-1-(2-methylquinolin-4-yl)-4-methylsulfonylbutan-1-amine
CID 105112992
1-(2-methylquinolin-4-yl)-2-phenylethanamine
CID 105084872

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine (CID 105173392) is 1-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine is CNC(c1ccc(Cl)s1)c1cc(C)nc2ccccc12.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine?
The InChIKey is CAQIAFLRIAOVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2S/c1-10-9-12(11-5-3-4-6-13(11)19-10)16(18-2)14-7-8-15(17)20-14/h3-9,16,18H,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine?
1-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine has a molecular weight of 302.83 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methylquinolin-4-yl)methanamine is sourced from PubChem (CID 105173392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).