2-(5-hydroxy-2-methyl-1H-indol-3-yl)ethyl-trimethylazanium

C14H21N2O+ — CID 21299537

IUPAC2-(5-hydroxy-2-methyl-1H-indol-3-yl)ethyl-trimethylazanium
SMILESCc1[nH]c2ccc(O)cc2c1CC[N+](C)(C)C
InChIInChI=1S/C14H20N2O/c1-10-12(7-8-16(2,3)4)13-9-11(17)5-6-14(13)15-10/h5-6,9,15H,7-8H2,1-4H3/p+1
InChIKeyOSDRBKHWAMVRON-UHFFFAOYSA-O
MW233.34 g/mol
LogP2.43
Rot. Bonds3

About 2-(5-hydroxy-2-methyl-1H-indol-3-yl)ethyl-trimethylazanium

2-(5-hydroxy-2-methyl-1H-indol-3-yl)ethyl-trimethylazanium (PubChem CID 21299537) has the molecular formula C14H21N2O+ and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-(5-hydroxy-2-methyl-1H-indol-3-yl)ethyl-trimethylazanium.

Molecular Properties

Compound Name2-(5-hydroxy-2-methyl-1H-indol-3-yl)ethyl-trimethylazanium
PubChem CID21299537
Molecular FormulaC14H21N2O+
Molecular Weight233.34 g/mol
Exact Mass233.16
IUPAC Name2-(5-hydroxy-2-methyl-1H-indol-3-yl)ethyl-trimethylazanium
SMILESCc1[nH]c2ccc(O)cc2c1CC[N+](C)(C)C
InChIInChI=1S/C14H20N2O/c1-10-12(7-8-16(2,3)4)13-9-11(17)5-6-14(13)15-10/h5-6,9,15H,7-8H2,1-4H3/p+1
InChIKeyOSDRBKHWAMVRON-UHFFFAOYSA-O
XLogP2.43
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-propyl-1H-indole-5-sulfonic acid
CID 50887921
2-(5-amino-2-methyl-1H-indol-3-yl)ethanol
CID 91482632
3-(5-hydroxy-2-methyl-1H-indol-3-yl)-1H-indole-5-carboxylic acid
CID 59364271
4-(5-bromo-2-methyl-1H-indol-3-yl)butan-2-amine
CID 82502209
2-[1-(5-hydroxy-1H-indol-3-yl)ethyl]-3-propyl-1H-indol-5-ol
CID 152819543
3-(2-methyl-5-phenyl-1H-indol-3-yl)propanoic acid
CID 98035044
4-[(2-methyl-1H-indol-3-yl)methyl]phenol
CID 21239687
2-[(5-hydroxy-2-methyl-1H-indole-3-carbonyl)-methylamino]acetic acid
CID 110835915
2-methyl-9H-carbazole-1,6-diol
CID 171715126
tert-butyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate
CID 54440936
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-ethylethanamine
CID 82496893
N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine
CID 82494090

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-2-methyl-1H-indol-3-yl)ethyl-trimethylazanium?
The IUPAC name of 2-(5-hydroxy-2-methyl-1H-indol-3-yl)ethyl-trimethylazanium (CID 21299537) is 2-(5-hydroxy-2-methyl-1H-indol-3-yl)ethyl-trimethylazanium.
What is the SMILES notation for 2-(5-hydroxy-2-methyl-1H-indol-3-yl)ethyl-trimethylazanium?
The canonical SMILES for 2-(5-hydroxy-2-methyl-1H-indol-3-yl)ethyl-trimethylazanium is Cc1[nH]c2ccc(O)cc2c1CC[N+](C)(C)C.
What is the InChIKey of 2-(5-hydroxy-2-methyl-1H-indol-3-yl)ethyl-trimethylazanium?
The InChIKey is OSDRBKHWAMVRON-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H20N2O/c1-10-12(7-8-16(2,3)4)13-9-11(17)5-6-14(13)15-10/h5-6,9,15H,7-8H2,1-4H3/p+1.
What are the key properties of 2-(5-hydroxy-2-methyl-1H-indol-3-yl)ethyl-trimethylazanium?
2-(5-hydroxy-2-methyl-1H-indol-3-yl)ethyl-trimethylazanium has a molecular weight of 233.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-2-methyl-1H-indol-3-yl)ethyl-trimethylazanium is sourced from PubChem (CID 21299537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).