2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid

C13H16N2O4 — CID 24802312

IUPAC2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid
SMILESCc1cccc2c(CCN)c[nH]c12.O=C(O)C(=O)O
InChIInChI=1S/C11H14N2.C2H2O4/c1-8-3-2-4-10-9(5-6-12)7-13-11(8)10;3-1(4)2(5)6/h2-4,7,13H,5-6,12H2,1H3;(H,3,4)(H,5,6)
InChIKeyVJQNPAYSYDIOGV-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.13
Rot. Bonds2

About 2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid

2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid (PubChem CID 24802312) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid.

Molecular Properties

Compound Name2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid
PubChem CID24802312
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid
SMILESCc1cccc2c(CCN)c[nH]c12.O=C(O)C(=O)O
InChIInChI=1S/C11H14N2.C2H2O4/c1-8-3-2-4-10-9(5-6-12)7-13-11(8)10;3-1(4)2(5)6/h2-4,7,13H,5-6,12H2,1H3;(H,3,4)(H,5,6)
InChIKeyVJQNPAYSYDIOGV-UHFFFAOYSA-N
XLogP1.13
TPSA116.41 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(7-methyl-1H-indol-3-yl)ethanamine chloride
CID 53351005
4-(7-methyl-1H-indol-3-yl)butan-2-one
CID 28806455
7-methyl-3-(2-phenylethyl)-1H-indole
CID 174735389
7-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]heptanamide;hydrochloride
CID 119781315
2-(2-aminoethyl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 120632210
3-[methyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]propanoic acid
CID 119233339
N,N-diethyl-2-(7-methyl-1H-indol-3-yl)acetamide
CID 110855149
2-(7-methyl-1H-indol-3-yl)ethyl-propan-2-ylazanium
CID 170598949
2-(3-methyl-1H-indol-7-yl)ethanamine
CID 76846888
4-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoylamino]butanoic acid
CID 122003467
2-methyl-2-[methyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]propanoic acid
CID 119200885
acetic acid;2-(1H-indol-3-yl)ethanamine
CID 57357905

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid?
The IUPAC name of 2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid (CID 24802312) is 2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid.
What is the SMILES notation for 2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid?
The canonical SMILES for 2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid is Cc1cccc2c(CCN)c[nH]c12.O=C(O)C(=O)O.
What is the InChIKey of 2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid?
The InChIKey is VJQNPAYSYDIOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.C2H2O4/c1-8-3-2-4-10-9(5-6-12)7-13-11(8)10;3-1(4)2(5)6/h2-4,7,13H,5-6,12H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid?
2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid has a molecular weight of 264.28 g/mol, XLogP of 1.13, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid is sourced from PubChem (CID 24802312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).