3-[2-amino-2-(ethylamino)ethyl]-2-methyl-1H-indol-6-ol

C13H19N3O — CID 141212917

IUPAC3-[2-amino-2-(ethylamino)ethyl]-2-methyl-1H-indol-6-ol
SMILESCCNC(N)Cc1c(C)[nH]c2cc(O)ccc12
InChIInChI=1S/C13H19N3O/c1-3-15-13(14)7-11-8(2)16-12-6-9(17)4-5-10(11)12/h4-6,13,15-17H,3,7,14H2,1-2H3
InChIKeyCWLSBCMQTGTVTE-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.62
Rot. Bonds4

About 3-[2-amino-2-(ethylamino)ethyl]-2-methyl-1H-indol-6-ol

3-[2-amino-2-(ethylamino)ethyl]-2-methyl-1H-indol-6-ol (PubChem CID 141212917) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-[2-amino-2-(ethylamino)ethyl]-2-methyl-1H-indol-6-ol.

Molecular Properties

Compound Name3-[2-amino-2-(ethylamino)ethyl]-2-methyl-1H-indol-6-ol
PubChem CID141212917
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-[2-amino-2-(ethylamino)ethyl]-2-methyl-1H-indol-6-ol
SMILESCCNC(N)Cc1c(C)[nH]c2cc(O)ccc12
InChIInChI=1S/C13H19N3O/c1-3-15-13(14)7-11-8(2)16-12-6-9(17)4-5-10(11)12/h4-6,13,15-17H,3,7,14H2,1-2H3
InChIKeyCWLSBCMQTGTVTE-UHFFFAOYSA-N
XLogP1.62
TPSA74.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Serotonin
CID 5202
Harmaline
CID 3564
Bufotenine
CID 10257
Psilocin
CID 4980
6-Hydroxyindole
CID 524508
Serotonin Hydrochloride
CID 160436
N-Methylserotonin
CID 150885
1H-indol-4-ol
CID 75421
Harmalol
CID 3565
Alpha-Methylserotonin
CID 2107
2-methyl-5-HT
CID 1574
4-Hydroxycarbazole
CID 104251

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-2-(ethylamino)ethyl]-2-methyl-1H-indol-6-ol?
The IUPAC name of 3-[2-amino-2-(ethylamino)ethyl]-2-methyl-1H-indol-6-ol (CID 141212917) is 3-[2-amino-2-(ethylamino)ethyl]-2-methyl-1H-indol-6-ol.
What is the SMILES notation for 3-[2-amino-2-(ethylamino)ethyl]-2-methyl-1H-indol-6-ol?
The canonical SMILES for 3-[2-amino-2-(ethylamino)ethyl]-2-methyl-1H-indol-6-ol is CCNC(N)Cc1c(C)[nH]c2cc(O)ccc12.
What is the InChIKey of 3-[2-amino-2-(ethylamino)ethyl]-2-methyl-1H-indol-6-ol?
The InChIKey is CWLSBCMQTGTVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-15-13(14)7-11-8(2)16-12-6-9(17)4-5-10(11)12/h4-6,13,15-17H,3,7,14H2,1-2H3.
What are the key properties of 3-[2-amino-2-(ethylamino)ethyl]-2-methyl-1H-indol-6-ol?
3-[2-amino-2-(ethylamino)ethyl]-2-methyl-1H-indol-6-ol has a molecular weight of 233.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-2-(ethylamino)ethyl]-2-methyl-1H-indol-6-ol is sourced from PubChem (CID 141212917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).