2-(dimethylamino)-1-(1-ethylindol-3-yl)ethanol

C14H20N2O — CID 21217

IUPAC2-(dimethylamino)-1-(1-ethylindol-3-yl)ethanol
SMILESCCn1cc(C(O)CN(C)C)c2ccccc21
InChIInChI=1S/C14H20N2O/c1-4-16-9-12(14(17)10-15(2)3)11-7-5-6-8-13(11)16/h5-9,14,17H,4,10H2,1-3H3
InChIKeySTKHFYZBZLFYSR-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.26
Rot. Bonds4

About 2-(dimethylamino)-1-(1-ethylindol-3-yl)ethanol

2-(dimethylamino)-1-(1-ethylindol-3-yl)ethanol (PubChem CID 21217) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(1-ethylindol-3-yl)ethanol.

Molecular Properties

Compound Name2-(dimethylamino)-1-(1-ethylindol-3-yl)ethanol
PubChem CID21217
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-(dimethylamino)-1-(1-ethylindol-3-yl)ethanol
SMILESCCn1cc(C(O)CN(C)C)c2ccccc21
InChIInChI=1S/C14H20N2O/c1-4-16-9-12(14(17)10-15(2)3)11-7-5-6-8-13(11)16/h5-9,14,17H,4,10H2,1-3H3
InChIKeySTKHFYZBZLFYSR-UHFFFAOYSA-N
XLogP2.26
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Indole-3-Carbinol
CID 3712
N-methoxyindole-3-carbinol
CID 398553
Flutroline
CID 51174
1-Methylpsilocin
CID 44404883
7-Octen-2-ol, 8-(1H-indol-1-yl)-2,6-dimethyl-
CID 3033452
(1-methyl-1H-indol-4-yl)methanol
CID 17608739
4-(Hydroxymethyl)quinoline
CID 80479
1-Butyl-3-(2-dimethylamino-ethyl)-1H-indol-4-ol
CID 44404886
Indole, 14
CID 44473055
5-HT2A&5-HT2C agonist-1
CID 58303886
3-[2-[Cyclopropylmethyl(methyl)amino]ethyl]-1-methylindol-4-ol
CID 156852021
1-(Cyclopropylmethyl)-3-[2-(dimethylamino)ethyl]indol-4-ol
CID 156852031

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(1-ethylindol-3-yl)ethanol?
The IUPAC name of 2-(dimethylamino)-1-(1-ethylindol-3-yl)ethanol (CID 21217) is 2-(dimethylamino)-1-(1-ethylindol-3-yl)ethanol.
What is the SMILES notation for 2-(dimethylamino)-1-(1-ethylindol-3-yl)ethanol?
The canonical SMILES for 2-(dimethylamino)-1-(1-ethylindol-3-yl)ethanol is CCn1cc(C(O)CN(C)C)c2ccccc21.
What is the InChIKey of 2-(dimethylamino)-1-(1-ethylindol-3-yl)ethanol?
The InChIKey is STKHFYZBZLFYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-16-9-12(14(17)10-15(2)3)11-7-5-6-8-13(11)16/h5-9,14,17H,4,10H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-(1-ethylindol-3-yl)ethanol?
2-(dimethylamino)-1-(1-ethylindol-3-yl)ethanol has a molecular weight of 232.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(1-ethylindol-3-yl)ethanol is sourced from PubChem (CID 21217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).