3-[2-(dimethylamino)ethyl]-1H-indol-4-ol

C12H16N2O — CID 4980

IUPAC3-[2-(dimethylamino)ethyl]-1H-indol-4-ol
SMILESCN(C)CCc1c[nH]c2cccc(O)c12
InChIInChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3
InChIKeySPCIYGNTAMCTRO-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.98
Rot. Bonds3

About 3-[2-(dimethylamino)ethyl]-1H-indol-4-ol

3-[2-(dimethylamino)ethyl]-1H-indol-4-ol (PubChem CID 4980) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-1H-indol-4-ol.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-1H-indol-4-ol
PubChem CID4980
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-[2-(dimethylamino)ethyl]-1H-indol-4-ol
SMILESCN(C)CCc1c[nH]c2cccc(O)c12
InChIInChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3
InChIKeySPCIYGNTAMCTRO-UHFFFAOYSA-N
XLogP1.98
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Serotonin
CID 5202
Indole-3-Carbinol
CID 3712
Pindolol
CID 4828
Bufotenine
CID 10257
Psilocybin
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O-Methylbufotenine
CID 1832
N-Acetylserotonin
CID 903
5-Hydroxytryptophol
CID 9061
6-Hydroxyindole
CID 524508
Serotonin Hydrochloride
CID 160436
5-Methoxy-N,N-Diisopropyltryptamine
CID 151182
Arvelexin
CID 119406

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-1H-indol-4-ol?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-1H-indol-4-ol (CID 4980) is 3-[2-(dimethylamino)ethyl]-1H-indol-4-ol.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-1H-indol-4-ol?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-1H-indol-4-ol is CN(C)CCc1c[nH]c2cccc(O)c12.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-1H-indol-4-ol?
The InChIKey is SPCIYGNTAMCTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-1H-indol-4-ol?
3-[2-(dimethylamino)ethyl]-1H-indol-4-ol has a molecular weight of 204.27 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-1H-indol-4-ol is sourced from PubChem (CID 4980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).