2-(methylamino)-1-(1-methylindol-6-yl)ethanol

C12H16N2O — CID 82609196

IUPAC2-(methylamino)-1-(1-methylindol-6-yl)ethanol
SMILESCNCC(O)c1ccc2ccn(C)c2c1
InChIInChI=1S/C12H16N2O/c1-13-8-12(15)10-4-3-9-5-6-14(2)11(9)7-10/h3-7,12-13,15H,8H2,1-2H3
InChIKeyUKCFXDBEWARHSP-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.43
Rot. Bonds3

About 2-(methylamino)-1-(1-methylindol-6-yl)ethanol

2-(methylamino)-1-(1-methylindol-6-yl)ethanol (PubChem CID 82609196) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(methylamino)-1-(1-methylindol-6-yl)ethanol.

Molecular Properties

Compound Name2-(methylamino)-1-(1-methylindol-6-yl)ethanol
PubChem CID82609196
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(methylamino)-1-(1-methylindol-6-yl)ethanol
SMILESCNCC(O)c1ccc2ccn(C)c2c1
InChIInChI=1S/C12H16N2O/c1-13-8-12(15)10-4-3-9-5-6-14(2)11(9)7-10/h3-7,12-13,15H,8H2,1-2H3
InChIKeyUKCFXDBEWARHSP-UHFFFAOYSA-N
XLogP1.43
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-hydroxy-2-(1-methylindol-6-yl)acetate
CID 117312084
N'-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N-(2-methylpropyl)oxamide
CID 121179967
N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 124843514
3-amino-3-(1-methylindol-6-yl)propanoic acid
CID 82614847
N'-tert-butyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 121179966
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
2-(methylamino)-1-(3-methylisoquinolin-7-yl)ethanol
CID 117308336
2-(methylamino)-1-(1-methylindol-7-yl)ethanol
CID 82609114
sodium;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;chloride
CID 174756001
methyl 4-[[2-hydroxy-2-(1-methylindol-5-yl)ethyl]carbamoyl]benzoate
CID 91817661

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(1-methylindol-6-yl)ethanol?
The IUPAC name of 2-(methylamino)-1-(1-methylindol-6-yl)ethanol (CID 82609196) is 2-(methylamino)-1-(1-methylindol-6-yl)ethanol.
What is the SMILES notation for 2-(methylamino)-1-(1-methylindol-6-yl)ethanol?
The canonical SMILES for 2-(methylamino)-1-(1-methylindol-6-yl)ethanol is CNCC(O)c1ccc2ccn(C)c2c1.
What is the InChIKey of 2-(methylamino)-1-(1-methylindol-6-yl)ethanol?
The InChIKey is UKCFXDBEWARHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-13-8-12(15)10-4-3-9-5-6-14(2)11(9)7-10/h3-7,12-13,15H,8H2,1-2H3.
What are the key properties of 2-(methylamino)-1-(1-methylindol-6-yl)ethanol?
2-(methylamino)-1-(1-methylindol-6-yl)ethanol has a molecular weight of 204.27 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(1-methylindol-6-yl)ethanol is sourced from PubChem (CID 82609196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).