2-(2-methylquinolin-6-yl)-2-(thiophen-2-ylmethylamino)ethanol

C17H18N2OS — CID 105379249

IUPAC2-(2-methylquinolin-6-yl)-2-(thiophen-2-ylmethylamino)ethanol
SMILESCc1ccc2cc(C(CO)NCc3cccs3)ccc2n1
InChIInChI=1S/C17H18N2OS/c1-12-4-5-13-9-14(6-7-16(13)19-12)17(11-20)18-10-15-3-2-8-21-15/h2-9,17-18,20H,10-11H2,1H3
InChIKeyAXJVSOJJLFWGIB-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.43
Rot. Bonds5

About 2-(2-methylquinolin-6-yl)-2-(thiophen-2-ylmethylamino)ethanol

2-(2-methylquinolin-6-yl)-2-(thiophen-2-ylmethylamino)ethanol (PubChem CID 105379249) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-(2-methylquinolin-6-yl)-2-(thiophen-2-ylmethylamino)ethanol.

Molecular Properties

Compound Name2-(2-methylquinolin-6-yl)-2-(thiophen-2-ylmethylamino)ethanol
PubChem CID105379249
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name2-(2-methylquinolin-6-yl)-2-(thiophen-2-ylmethylamino)ethanol
SMILESCc1ccc2cc(C(CO)NCc3cccs3)ccc2n1
InChIInChI=1S/C17H18N2OS/c1-12-4-5-13-9-14(6-7-16(13)19-12)17(11-20)18-10-15-3-2-8-21-15/h2-9,17-18,20H,10-11H2,1H3
InChIKeyAXJVSOJJLFWGIB-UHFFFAOYSA-N
XLogP3.43
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylquinolin-6-yl)-2-(propylamino)ethanol
CID 105379248
4-[2-hydroxy-1-(thiophen-2-ylmethylamino)ethyl]phenol
CID 61054801
1-(2-methylquinolin-6-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 105378240
(2-methylquinolin-6-yl)-thiophen-2-ylmethanol
CID 81215895
1-quinolin-6-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65380354
1-(2-methylquinolin-6-yl)-2-thiophen-2-ylethanone
CID 81221087
3-(2-methylquinolin-6-yl)-3-(propylamino)propan-1-ol
CID 105379697
2-(thiophen-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 61056618
(1S)-N-[(2-methylquinolin-6-yl)methyl]-1-thiophen-2-ylethanamine
CID 105378592
1-(2-methylquinolin-6-yl)-N-propylpropan-1-amine
CID 81220852
2-naphthalen-1-yl-2-(thiophen-2-ylmethylamino)ethanol
CID 61054191
1-(4-bromo-3-methylphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 66480167

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylquinolin-6-yl)-2-(thiophen-2-ylmethylamino)ethanol?
The IUPAC name of 2-(2-methylquinolin-6-yl)-2-(thiophen-2-ylmethylamino)ethanol (CID 105379249) is 2-(2-methylquinolin-6-yl)-2-(thiophen-2-ylmethylamino)ethanol.
What is the SMILES notation for 2-(2-methylquinolin-6-yl)-2-(thiophen-2-ylmethylamino)ethanol?
The canonical SMILES for 2-(2-methylquinolin-6-yl)-2-(thiophen-2-ylmethylamino)ethanol is Cc1ccc2cc(C(CO)NCc3cccs3)ccc2n1.
What is the InChIKey of 2-(2-methylquinolin-6-yl)-2-(thiophen-2-ylmethylamino)ethanol?
The InChIKey is AXJVSOJJLFWGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-12-4-5-13-9-14(6-7-16(13)19-12)17(11-20)18-10-15-3-2-8-21-15/h2-9,17-18,20H,10-11H2,1H3.
What are the key properties of 2-(2-methylquinolin-6-yl)-2-(thiophen-2-ylmethylamino)ethanol?
2-(2-methylquinolin-6-yl)-2-(thiophen-2-ylmethylamino)ethanol has a molecular weight of 298.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylquinolin-6-yl)-2-(thiophen-2-ylmethylamino)ethanol is sourced from PubChem (CID 105379249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).