1-(4-methoxy-1-methylindol-3-yl)-2-(methylamino)ethanol

C13H18N2O2 — CID 82278890

IUPAC1-(4-methoxy-1-methylindol-3-yl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cn(C)c2cccc(OC)c12
InChIInChI=1S/C13H18N2O2/c1-14-7-11(16)9-8-15(2)10-5-4-6-12(17-3)13(9)10/h4-6,8,11,14,16H,7H2,1-3H3
InChIKeyWHDDZKAMVFSDPA-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.44
Rot. Bonds4

About 1-(4-methoxy-1-methylindol-3-yl)-2-(methylamino)ethanol

1-(4-methoxy-1-methylindol-3-yl)-2-(methylamino)ethanol (PubChem CID 82278890) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(4-methoxy-1-methylindol-3-yl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(4-methoxy-1-methylindol-3-yl)-2-(methylamino)ethanol
PubChem CID82278890
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(4-methoxy-1-methylindol-3-yl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cn(C)c2cccc(OC)c12
InChIInChI=1S/C13H18N2O2/c1-14-7-11(16)9-8-15(2)10-5-4-6-12(17-3)13(9)10/h4-6,8,11,14,16H,7H2,1-3H3
InChIKeyWHDDZKAMVFSDPA-UHFFFAOYSA-N
XLogP1.44
TPSA46.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(4-methoxy-1-methylindol-3-yl)propan-1-ol
CID 107360558
1-(2-methoxyphenyl)-2-(methylamino)ethanol
CID 14888491
1-(3-methoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 83698787
1-(3-methoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117320446
2-(4-methoxy-1-methylindol-3-yl)acetic acid
CID 82278588
1-(2,5-dimethoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 112514039
1-(4,5-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117386619
N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,3,4-trimethoxybenzamide
CID 97414057
2-(4-methoxy-1-methylindol-3-yl)ethyl-trimethylazanium
CID 156698146
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 90535108
2-cyclopropyl-1-(4-methoxy-1-methylindol-3-yl)propan-1-one
CID 107360355
2-(4-methoxy-1-methylindol-3-yl)ethyl-trimethylazanium;iodide;hydrate
CID 156698147

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-methylindol-3-yl)-2-(methylamino)ethanol?
The IUPAC name of 1-(4-methoxy-1-methylindol-3-yl)-2-(methylamino)ethanol (CID 82278890) is 1-(4-methoxy-1-methylindol-3-yl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(4-methoxy-1-methylindol-3-yl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(4-methoxy-1-methylindol-3-yl)-2-(methylamino)ethanol is CNCC(O)c1cn(C)c2cccc(OC)c12.
What is the InChIKey of 1-(4-methoxy-1-methylindol-3-yl)-2-(methylamino)ethanol?
The InChIKey is WHDDZKAMVFSDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-14-7-11(16)9-8-15(2)10-5-4-6-12(17-3)13(9)10/h4-6,8,11,14,16H,7H2,1-3H3.
What are the key properties of 1-(4-methoxy-1-methylindol-3-yl)-2-(methylamino)ethanol?
1-(4-methoxy-1-methylindol-3-yl)-2-(methylamino)ethanol has a molecular weight of 234.30 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-methylindol-3-yl)-2-(methylamino)ethanol is sourced from PubChem (CID 82278890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).