2-[(3,7-dimethylquinolin-2-yl)amino]ethanol

C13H16N2O — CID 648198

IUPAC2-[(3,7-dimethylquinolin-2-yl)amino]ethanol
SMILESCc1ccc2cc(C)c(NCCO)nc2c1
InChIInChI=1S/C13H16N2O/c1-9-3-4-11-8-10(2)13(14-5-6-16)15-12(11)7-9/h3-4,7-8,16H,5-6H2,1-2H3,(H,14,15)
InChIKeyMPHCLZUQILBADN-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.26
Rot. Bonds3

About 2-[(3,7-dimethylquinolin-2-yl)amino]ethanol

2-[(3,7-dimethylquinolin-2-yl)amino]ethanol (PubChem CID 648198) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[(3,7-dimethylquinolin-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(3,7-dimethylquinolin-2-yl)amino]ethanol
PubChem CID648198
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-[(3,7-dimethylquinolin-2-yl)amino]ethanol
SMILESCc1ccc2cc(C)c(NCCO)nc2c1
InChIInChI=1S/C13H16N2O/c1-9-3-4-11-8-10(2)13(14-5-6-16)15-12(11)7-9/h3-4,7-8,16H,5-6H2,1-2H3,(H,14,15)
InChIKeyMPHCLZUQILBADN-UHFFFAOYSA-N
XLogP2.26
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,7-dimethylquinolin-2-yl)amino]ethanol?
The IUPAC name of 2-[(3,7-dimethylquinolin-2-yl)amino]ethanol (CID 648198) is 2-[(3,7-dimethylquinolin-2-yl)amino]ethanol.
What is the SMILES notation for 2-[(3,7-dimethylquinolin-2-yl)amino]ethanol?
The canonical SMILES for 2-[(3,7-dimethylquinolin-2-yl)amino]ethanol is Cc1ccc2cc(C)c(NCCO)nc2c1.
What is the InChIKey of 2-[(3,7-dimethylquinolin-2-yl)amino]ethanol?
The InChIKey is MPHCLZUQILBADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-3-4-11-8-10(2)13(14-5-6-16)15-12(11)7-9/h3-4,7-8,16H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 2-[(3,7-dimethylquinolin-2-yl)amino]ethanol?
2-[(3,7-dimethylquinolin-2-yl)amino]ethanol has a molecular weight of 216.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,7-dimethylquinolin-2-yl)amino]ethanol is sourced from PubChem (CID 648198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).