2-(dimethylamino)-1-(5-methoxy-1H-indol-3-yl)ethanol

C13H18N2O2 — CID 166485207

IUPAC2-(dimethylamino)-1-(5-methoxy-1H-indol-3-yl)ethanol
SMILESCOc1ccc2[nH]cc(C(O)CN(C)C)c2c1
InChIInChI=1S/C13H18N2O2/c1-15(2)8-13(16)11-7-14-12-5-4-9(17-3)6-10(11)12/h4-7,13-14,16H,8H2,1-3H3
InChIKeyPWEUEHKVQYAPGO-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.77
Rot. Bonds4

About 2-(dimethylamino)-1-(5-methoxy-1H-indol-3-yl)ethanol

2-(dimethylamino)-1-(5-methoxy-1H-indol-3-yl)ethanol (PubChem CID 166485207) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(5-methoxy-1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name2-(dimethylamino)-1-(5-methoxy-1H-indol-3-yl)ethanol
PubChem CID166485207
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-(dimethylamino)-1-(5-methoxy-1H-indol-3-yl)ethanol
SMILESCOc1ccc2[nH]cc(C(O)CN(C)C)c2c1
InChIInChI=1S/C13H18N2O2/c1-15(2)8-13(16)11-7-14-12-5-4-9(17-3)6-10(11)12/h4-7,13-14,16H,8H2,1-3H3
InChIKeyPWEUEHKVQYAPGO-UHFFFAOYSA-N
XLogP1.77
TPSA48.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-2-(5-methoxy-1H-indol-3-yl)ethanethioamide
CID 84749835
(2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride
CID 171199760
1-(5-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanol
CID 3254372
5-methoxy-3-propan-2-yl-1H-indole;oxalic acid
CID 19389680
(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine
CID 171199728
(3S)-3-(5-methoxy-1H-indol-3-yl)hexan-1-ol
CID 46914834
(3S)-3-amino-3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropan-1-ol
CID 171246174
(1R)-1-(5-methoxy-1H-indol-3-yl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171199753
ethyl 3-(5-methoxy-1H-indol-3-yl)pentanoate
CID 54293659
(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine;hydrochloride
CID 171199729
4-(5-methoxy-1H-indol-3-yl)pentanoic acid
CID 115420787
ethyl (3R)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride
CID 171199762

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(5-methoxy-1H-indol-3-yl)ethanol?
The IUPAC name of 2-(dimethylamino)-1-(5-methoxy-1H-indol-3-yl)ethanol (CID 166485207) is 2-(dimethylamino)-1-(5-methoxy-1H-indol-3-yl)ethanol.
What is the SMILES notation for 2-(dimethylamino)-1-(5-methoxy-1H-indol-3-yl)ethanol?
The canonical SMILES for 2-(dimethylamino)-1-(5-methoxy-1H-indol-3-yl)ethanol is COc1ccc2[nH]cc(C(O)CN(C)C)c2c1.
What is the InChIKey of 2-(dimethylamino)-1-(5-methoxy-1H-indol-3-yl)ethanol?
The InChIKey is PWEUEHKVQYAPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15(2)8-13(16)11-7-14-12-5-4-9(17-3)6-10(11)12/h4-7,13-14,16H,8H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-(5-methoxy-1H-indol-3-yl)ethanol?
2-(dimethylamino)-1-(5-methoxy-1H-indol-3-yl)ethanol has a molecular weight of 234.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(5-methoxy-1H-indol-3-yl)ethanol is sourced from PubChem (CID 166485207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).