N-methyl-1-(2-methylquinolin-6-yl)-2-thiophen-3-ylethanamine

C17H18N2S — CID 105172214

IUPACN-methyl-1-(2-methylquinolin-6-yl)-2-thiophen-3-ylethanamine
SMILESCNC(Cc1ccsc1)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C17H18N2S/c1-12-3-4-14-10-15(5-6-16(14)19-12)17(18-2)9-13-7-8-20-11-13/h3-8,10-11,17-18H,9H2,1-2H3
InChIKeyOPERFCRGIHSLHP-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.11
Rot. Bonds4

About N-methyl-1-(2-methylquinolin-6-yl)-2-thiophen-3-ylethanamine

N-methyl-1-(2-methylquinolin-6-yl)-2-thiophen-3-ylethanamine (PubChem CID 105172214) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-methyl-1-(2-methylquinolin-6-yl)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methylquinolin-6-yl)-2-thiophen-3-ylethanamine
PubChem CID105172214
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC NameN-methyl-1-(2-methylquinolin-6-yl)-2-thiophen-3-ylethanamine
SMILESCNC(Cc1ccsc1)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C17H18N2S/c1-12-3-4-14-10-15(5-6-16(14)19-12)17(18-2)9-13-7-8-20-11-13/h3-8,10-11,17-18H,9H2,1-2H3
InChIKeyOPERFCRGIHSLHP-UHFFFAOYSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61078368
1-(2-methylquinolin-6-yl)-3-thiophen-3-ylpropan-1-ol
CID 105379193
N,4-dimethyl-1-(2-methylquinolin-6-yl)pentan-1-amine
CID 81231235
N-[(2-methylquinolin-6-yl)-thiophen-3-ylmethyl]ethanamine
CID 81220693
2-ethylsulfanyl-N-methyl-1-(2-methylquinolin-6-yl)ethanamine
CID 81232115
1-(4-chloro-3-fluorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 114024608
1-(3-bromo-4-fluorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 82808675
N-methyl-1-pyridin-3-yl-2-thiophen-3-ylethanamine
CID 61077665
3-ethoxy-N-methyl-1-(2-methylquinolin-6-yl)propan-1-amine
CID 105172258
2-(2-methylpropylamino)-2-(2-methylquinolin-6-yl)ethanol
CID 105379246
2-[(2-methylquinolin-6-yl)methylamino]-2-thiophen-3-ylethanol
CID 119039458
3-(furan-2-yl)-N-methyl-1-(2-methylquinolin-6-yl)propan-1-amine
CID 105172256

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylquinolin-6-yl)-2-thiophen-3-ylethanamine?
The IUPAC name of N-methyl-1-(2-methylquinolin-6-yl)-2-thiophen-3-ylethanamine (CID 105172214) is N-methyl-1-(2-methylquinolin-6-yl)-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-methyl-1-(2-methylquinolin-6-yl)-2-thiophen-3-ylethanamine?
The canonical SMILES for N-methyl-1-(2-methylquinolin-6-yl)-2-thiophen-3-ylethanamine is CNC(Cc1ccsc1)c1ccc2nc(C)ccc2c1.
What is the InChIKey of N-methyl-1-(2-methylquinolin-6-yl)-2-thiophen-3-ylethanamine?
The InChIKey is OPERFCRGIHSLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-12-3-4-14-10-15(5-6-16(14)19-12)17(18-2)9-13-7-8-20-11-13/h3-8,10-11,17-18H,9H2,1-2H3.
What are the key properties of N-methyl-1-(2-methylquinolin-6-yl)-2-thiophen-3-ylethanamine?
N-methyl-1-(2-methylquinolin-6-yl)-2-thiophen-3-ylethanamine has a molecular weight of 282.41 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylquinolin-6-yl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 105172214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).