1-ethyl-2-(ethylaminomethyl)indole-7-carboxylic acid

C14H18N2O2 — CID 117184391

IUPAC1-ethyl-2-(ethylaminomethyl)indole-7-carboxylic acid
SMILESCCNCc1cc2cccc(C(=O)O)c2n1CC
InChIInChI=1S/C14H18N2O2/c1-3-15-9-11-8-10-6-5-7-12(14(17)18)13(10)16(11)4-2/h5-8,15H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyAIJBCZGFZWEOQS-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.47
Rot. Bonds5

About 1-ethyl-2-(ethylaminomethyl)indole-7-carboxylic acid

1-ethyl-2-(ethylaminomethyl)indole-7-carboxylic acid (PubChem CID 117184391) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-ethyl-2-(ethylaminomethyl)indole-7-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-2-(ethylaminomethyl)indole-7-carboxylic acid
PubChem CID117184391
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-ethyl-2-(ethylaminomethyl)indole-7-carboxylic acid
SMILESCCNCc1cc2cccc(C(=O)O)c2n1CC
InChIInChI=1S/C14H18N2O2/c1-3-15-9-11-8-10-6-5-7-12(14(17)18)13(10)16(11)4-2/h5-8,15H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyAIJBCZGFZWEOQS-UHFFFAOYSA-N
XLogP2.47
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,7-dimethylindol-2-yl)methyl]ethanamine
CID 117186537
N-[[1-(2-propan-2-ylsulfonylethyl)indol-2-yl]methyl]ethanamine
CID 106731933
2-(aminomethyl)-1-propan-2-ylindole-7-carboxylic acid
CID 117184356
3-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid
CID 117196710
1-ethyl-2-(ethylaminomethyl)indol-4-ol
CID 117173987
3-(1-ethyl-7-fluoroindol-2-yl)-2-methylpropanoic acid
CID 117196993
ethane;2-ethoxy-3-ethylbenzimidazole-4-carboxylic acid
CID 143625160
naphthalene-1-carboxylic acid;propanoic acid
CID 161134976
N-ethylethanamine;2-hydroxybenzoic acid;hydrate
CID 159203419
1-ethyl-7-propan-2-ylindole-2-carboxylic acid
CID 105489529
2-(ethylamino)benzene-1,3-dicarboxylic acid
CID 141058126
1,2-dimethoxyindole-7-carboxylic acid
CID 174419626

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(ethylaminomethyl)indole-7-carboxylic acid?
The IUPAC name of 1-ethyl-2-(ethylaminomethyl)indole-7-carboxylic acid (CID 117184391) is 1-ethyl-2-(ethylaminomethyl)indole-7-carboxylic acid.
What is the SMILES notation for 1-ethyl-2-(ethylaminomethyl)indole-7-carboxylic acid?
The canonical SMILES for 1-ethyl-2-(ethylaminomethyl)indole-7-carboxylic acid is CCNCc1cc2cccc(C(=O)O)c2n1CC.
What is the InChIKey of 1-ethyl-2-(ethylaminomethyl)indole-7-carboxylic acid?
The InChIKey is AIJBCZGFZWEOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-15-9-11-8-10-6-5-7-12(14(17)18)13(10)16(11)4-2/h5-8,15H,3-4,9H2,1-2H3,(H,17,18).
What are the key properties of 1-ethyl-2-(ethylaminomethyl)indole-7-carboxylic acid?
1-ethyl-2-(ethylaminomethyl)indole-7-carboxylic acid has a molecular weight of 246.31 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(ethylaminomethyl)indole-7-carboxylic acid is sourced from PubChem (CID 117184391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).