2-(methylamino)-1-(3-methylisoquinolin-7-yl)ethanol

C13H16N2O — CID 117308336

IUPAC2-(methylamino)-1-(3-methylisoquinolin-7-yl)ethanol
SMILESCNCC(O)c1ccc2cc(C)ncc2c1
InChIInChI=1S/C13H16N2O/c1-9-5-10-3-4-11(13(16)8-14-2)6-12(10)7-15-9/h3-7,13-14,16H,8H2,1-2H3
InChIKeyOGYPAFJSYZRIEM-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.80
Rot. Bonds3

About 2-(methylamino)-1-(3-methylisoquinolin-7-yl)ethanol

2-(methylamino)-1-(3-methylisoquinolin-7-yl)ethanol (PubChem CID 117308336) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(methylamino)-1-(3-methylisoquinolin-7-yl)ethanol.

Molecular Properties

Compound Name2-(methylamino)-1-(3-methylisoquinolin-7-yl)ethanol
PubChem CID117308336
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-(methylamino)-1-(3-methylisoquinolin-7-yl)ethanol
SMILESCNCC(O)c1ccc2cc(C)ncc2c1
InChIInChI=1S/C13H16N2O/c1-9-5-10-3-4-11(13(16)8-14-2)6-12(10)7-15-9/h3-7,13-14,16H,8H2,1-2H3
InChIKeyOGYPAFJSYZRIEM-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminoquinoxalin-6-yl)-2-(methylamino)ethanol
CID 117311096
2-amino-2-(3-methylisoquinolin-7-yl)acetic acid
CID 117308063
1-(3-methylisoquinolin-7-yl)propan-2-ol
CID 117290221
4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydrate
CID 18674898
4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydrobromide
CID 71478438
4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydroiodide
CID 71478439
1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 95189163
2-(methylamino)-1-(1-methylindol-6-yl)ethanol
CID 82609196
sodium;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;chloride
CID 174756001
4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;sulfuric acid
CID 67900576
2-(methylamino)-1-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol
CID 82496150
1-[3,4-bis(4-methylphenoxy)phenyl]-2-(methylamino)ethanol
CID 70603684

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(3-methylisoquinolin-7-yl)ethanol?
The IUPAC name of 2-(methylamino)-1-(3-methylisoquinolin-7-yl)ethanol (CID 117308336) is 2-(methylamino)-1-(3-methylisoquinolin-7-yl)ethanol.
What is the SMILES notation for 2-(methylamino)-1-(3-methylisoquinolin-7-yl)ethanol?
The canonical SMILES for 2-(methylamino)-1-(3-methylisoquinolin-7-yl)ethanol is CNCC(O)c1ccc2cc(C)ncc2c1.
What is the InChIKey of 2-(methylamino)-1-(3-methylisoquinolin-7-yl)ethanol?
The InChIKey is OGYPAFJSYZRIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-5-10-3-4-11(13(16)8-14-2)6-12(10)7-15-9/h3-7,13-14,16H,8H2,1-2H3.
What are the key properties of 2-(methylamino)-1-(3-methylisoquinolin-7-yl)ethanol?
2-(methylamino)-1-(3-methylisoquinolin-7-yl)ethanol has a molecular weight of 216.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(3-methylisoquinolin-7-yl)ethanol is sourced from PubChem (CID 117308336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).