N-[(2-methylquinolin-6-yl)-thiophen-3-ylmethyl]ethanamine

C17H18N2S — CID 81220693

IUPACN-[(2-methylquinolin-6-yl)-thiophen-3-ylmethyl]ethanamine
SMILESCCNC(c1ccsc1)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C17H18N2S/c1-3-18-17(15-8-9-20-11-15)14-6-7-16-13(10-14)5-4-12(2)19-16/h4-11,17-18H,3H2,1-2H3
InChIKeyYIMYRIVCOOCLHV-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.30
Rot. Bonds4

About N-[(2-methylquinolin-6-yl)-thiophen-3-ylmethyl]ethanamine

N-[(2-methylquinolin-6-yl)-thiophen-3-ylmethyl]ethanamine (PubChem CID 81220693) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[(2-methylquinolin-6-yl)-thiophen-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methylquinolin-6-yl)-thiophen-3-ylmethyl]ethanamine
PubChem CID81220693
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC NameN-[(2-methylquinolin-6-yl)-thiophen-3-ylmethyl]ethanamine
SMILESCCNC(c1ccsc1)c1ccc2nc(C)ccc2c1
InChIInChI=1S/C17H18N2S/c1-3-18-17(15-8-9-20-11-15)14-6-7-16-13(10-14)5-4-12(2)19-16/h4-11,17-18H,3H2,1-2H3
InChIKeyYIMYRIVCOOCLHV-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-methylquinolin-6-yl)-thiophen-3-ylmethyl]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

N-[quinoxalin-6-yl(thiophen-3-yl)methyl]ethanamine
CID 65104878
N-[(2-methylquinolin-6-yl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 105172283
N-[(3,4-dichlorophenyl)-thiophen-3-ylmethyl]ethanamine
CID 43492782
N-[(2-methylquinolin-6-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
CID 81229898
N-[(4-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]ethanamine
CID 62791707
N-methyl-1-(2-methylquinolin-6-yl)-2-thiophen-3-ylethanamine
CID 105172214
2-[(2-methylquinolin-6-yl)methylamino]-2-thiophen-3-ylethanol
CID 119039458
N-[(2-methylquinolin-6-yl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 105379123
N-[(4-methoxyphenyl)-thiophen-3-ylmethyl]ethanamine
CID 43489158
N-[(2,3,4,5,6-pentamethylphenyl)-thiophen-3-ylmethyl]ethanamine
CID 43489786
1-(2-methylquinolin-6-yl)-3-thiophen-3-ylpropan-1-ol
CID 105379193
2-[(2-methylquinolin-6-yl)methylamino]-1-thiophen-3-ylethanol
CID 102609668

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylquinolin-6-yl)-thiophen-3-ylmethyl]ethanamine?
The IUPAC name of N-[(2-methylquinolin-6-yl)-thiophen-3-ylmethyl]ethanamine (CID 81220693) is N-[(2-methylquinolin-6-yl)-thiophen-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[(2-methylquinolin-6-yl)-thiophen-3-ylmethyl]ethanamine?
The canonical SMILES for N-[(2-methylquinolin-6-yl)-thiophen-3-ylmethyl]ethanamine is CCNC(c1ccsc1)c1ccc2nc(C)ccc2c1.
What is the InChIKey of N-[(2-methylquinolin-6-yl)-thiophen-3-ylmethyl]ethanamine?
The InChIKey is YIMYRIVCOOCLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-3-18-17(15-8-9-20-11-15)14-6-7-16-13(10-14)5-4-12(2)19-16/h4-11,17-18H,3H2,1-2H3.
What are the key properties of N-[(2-methylquinolin-6-yl)-thiophen-3-ylmethyl]ethanamine?
N-[(2-methylquinolin-6-yl)-thiophen-3-ylmethyl]ethanamine has a molecular weight of 282.41 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylquinolin-6-yl)-thiophen-3-ylmethyl]ethanamine is sourced from PubChem (CID 81220693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).