2-(2-methylquinolin-6-yl)-2-(2-methylthiomorpholin-4-yl)ethanamine

C17H23N3S — CID 105378848

IUPAC2-(2-methylquinolin-6-yl)-2-(2-methylthiomorpholin-4-yl)ethanamine
SMILESCc1ccc2cc(C(CN)N3CCSC(C)C3)ccc2n1
InChIInChI=1S/C17H23N3S/c1-12-3-4-14-9-15(5-6-16(14)19-12)17(10-18)20-7-8-21-13(2)11-20/h3-6,9,13,17H,7-8,10-11,18H2,1-2H3
InChIKeyJXDMWURRCDYCGM-UHFFFAOYSA-N
MW301.46 g/mol
LogP2.98
Rot. Bonds3

About 2-(2-methylquinolin-6-yl)-2-(2-methylthiomorpholin-4-yl)ethanamine

2-(2-methylquinolin-6-yl)-2-(2-methylthiomorpholin-4-yl)ethanamine (PubChem CID 105378848) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 2-(2-methylquinolin-6-yl)-2-(2-methylthiomorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methylquinolin-6-yl)-2-(2-methylthiomorpholin-4-yl)ethanamine
PubChem CID105378848
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name2-(2-methylquinolin-6-yl)-2-(2-methylthiomorpholin-4-yl)ethanamine
SMILESCc1ccc2cc(C(CN)N3CCSC(C)C3)ccc2n1
InChIInChI=1S/C17H23N3S/c1-12-3-4-14-9-15(5-6-16(14)19-12)17(10-18)20-7-8-21-13(2)11-20/h3-6,9,13,17H,7-8,10-11,18H2,1-2H3
InChIKeyJXDMWURRCDYCGM-UHFFFAOYSA-N
XLogP2.98
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-methylquinolin-6-yl)-2-(2-methylthiomorpholin-4-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-ethylpyrrolidin-1-yl)-2-(2-methylquinolin-6-yl)ethanamine
CID 105378838
2-(3-bromo-4-methylphenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine
CID 105405193
2-(4-chloro-2-fluorophenyl)-2-(2-methylthiomorpholin-4-yl)ethanamine
CID 114843418
2-(2-methylquinolin-6-yl)-2-piperazin-1-ylethanol
CID 105379243
[4-methyl-1-[(2-methylquinolin-6-yl)methyl]piperazin-2-yl]methanamine
CID 105379017
4-amino-3-(2-methylquinolin-6-yl)butan-1-ol
CID 105379707
(2-methylquinolin-6-yl)-(thiolan-2-yl)methanamine
CID 81224264
2-(2-methyl-1,4-oxazepan-4-yl)-2-quinolin-6-ylethanamine
CID 63968717
(3R)-1,3-dimethyl-4-[(2-methylquinolin-6-yl)methyl]piperazin-2-one
CID 99826047
[1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 120841918
cyclobutyl-(2-methylquinolin-6-yl)methanamine
CID 81232186
(2-methylquinolin-6-yl)-(thian-2-yl)methanol
CID 81220603

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylquinolin-6-yl)-2-(2-methylthiomorpholin-4-yl)ethanamine?
The IUPAC name of 2-(2-methylquinolin-6-yl)-2-(2-methylthiomorpholin-4-yl)ethanamine (CID 105378848) is 2-(2-methylquinolin-6-yl)-2-(2-methylthiomorpholin-4-yl)ethanamine.
What is the SMILES notation for 2-(2-methylquinolin-6-yl)-2-(2-methylthiomorpholin-4-yl)ethanamine?
The canonical SMILES for 2-(2-methylquinolin-6-yl)-2-(2-methylthiomorpholin-4-yl)ethanamine is Cc1ccc2cc(C(CN)N3CCSC(C)C3)ccc2n1.
What is the InChIKey of 2-(2-methylquinolin-6-yl)-2-(2-methylthiomorpholin-4-yl)ethanamine?
The InChIKey is JXDMWURRCDYCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-12-3-4-14-9-15(5-6-16(14)19-12)17(10-18)20-7-8-21-13(2)11-20/h3-6,9,13,17H,7-8,10-11,18H2,1-2H3.
What are the key properties of 2-(2-methylquinolin-6-yl)-2-(2-methylthiomorpholin-4-yl)ethanamine?
2-(2-methylquinolin-6-yl)-2-(2-methylthiomorpholin-4-yl)ethanamine has a molecular weight of 301.46 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylquinolin-6-yl)-2-(2-methylthiomorpholin-4-yl)ethanamine is sourced from PubChem (CID 105378848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).