1-(2-methylquinolin-6-yl)-N-(thiophen-2-ylmethyl)methanamine

C16H16N2S — CID 105378240

IUPAC1-(2-methylquinolin-6-yl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCc1ccc2cc(CNCc3cccs3)ccc2n1
InChIInChI=1S/C16H16N2S/c1-12-4-6-14-9-13(5-7-16(14)18-12)10-17-11-15-3-2-8-19-15/h2-9,17H,10-11H2,1H3
InChIKeyACEAWJPKSCTYHD-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.89
Rot. Bonds4

About 1-(2-methylquinolin-6-yl)-N-(thiophen-2-ylmethyl)methanamine

1-(2-methylquinolin-6-yl)-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 105378240) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-(2-methylquinolin-6-yl)-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-methylquinolin-6-yl)-N-(thiophen-2-ylmethyl)methanamine
PubChem CID105378240
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC Name1-(2-methylquinolin-6-yl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCc1ccc2cc(CNCc3cccs3)ccc2n1
InChIInChI=1S/C16H16N2S/c1-12-4-6-14-9-13(5-7-16(14)18-12)10-17-11-15-3-2-8-19-15/h2-9,17H,10-11H2,1H3
InChIKeyACEAWJPKSCTYHD-UHFFFAOYSA-N
XLogP3.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[(2-methylquinolin-6-yl)methyl]-1-thiophen-2-ylethanamine
CID 105378592
1-(4-bromophenyl)-N-[(2-methylquinolin-6-yl)methyl]methanamine
CID 105378223
1-(2-methyl-4-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine
CID 106752851
1-(2-methylquinolin-6-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 105378208
N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 81231391
2-methyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 81231609
2-(2-methylquinolin-6-yl)-2-(thiophen-2-ylmethylamino)ethanol
CID 105379249
3,3,3-trifluoro-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 105378460
2-methyl-5-[(thiophen-2-ylmethylamino)methyl]aniline
CID 61150338
1-(1H-indazol-6-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 55131583
2-(2-methylquinolin-6-yl)acetaldehyde
CID 81224774
1-(3-methoxy-4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 54883860

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylquinolin-6-yl)-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-(2-methylquinolin-6-yl)-N-(thiophen-2-ylmethyl)methanamine (CID 105378240) is 1-(2-methylquinolin-6-yl)-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-methylquinolin-6-yl)-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-(2-methylquinolin-6-yl)-N-(thiophen-2-ylmethyl)methanamine is Cc1ccc2cc(CNCc3cccs3)ccc2n1.
What is the InChIKey of 1-(2-methylquinolin-6-yl)-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is ACEAWJPKSCTYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-12-4-6-14-9-13(5-7-16(14)18-12)10-17-11-15-3-2-8-19-15/h2-9,17H,10-11H2,1H3.
What are the key properties of 1-(2-methylquinolin-6-yl)-N-(thiophen-2-ylmethyl)methanamine?
1-(2-methylquinolin-6-yl)-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 268.38 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylquinolin-6-yl)-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 105378240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).