ethyl 2-(methylaminomethyl)-1-phenylindole-3-carboxylate

C19H20N2O2 — CID 170071224

IUPACethyl 2-(methylaminomethyl)-1-phenylindole-3-carboxylate
SMILESCCOC(=O)c1c(CNC)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C19H20N2O2/c1-3-23-19(22)18-15-11-7-8-12-16(15)21(17(18)13-20-2)14-9-5-4-6-10-14/h4-12,20H,3,13H2,1-2H3
InChIKeyOXUNGQLJHVICHB-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.53
Rot. Bonds5

About ethyl 2-(methylaminomethyl)-1-phenylindole-3-carboxylate

ethyl 2-(methylaminomethyl)-1-phenylindole-3-carboxylate (PubChem CID 170071224) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is ethyl 2-(methylaminomethyl)-1-phenylindole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(methylaminomethyl)-1-phenylindole-3-carboxylate
PubChem CID170071224
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Nameethyl 2-(methylaminomethyl)-1-phenylindole-3-carboxylate
SMILESCCOC(=O)c1c(CNC)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C19H20N2O2/c1-3-23-19(22)18-15-11-7-8-12-16(15)21(17(18)13-20-2)14-9-5-4-6-10-14/h4-12,20H,3,13H2,1-2H3
InChIKeyOXUNGQLJHVICHB-UHFFFAOYSA-N
XLogP3.53
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-methyl-2-(methylaminomethyl)-5-phenylindole-3-carboxylate
CID 170077347
ethyl 2-(2-methyl-1-phenylindol-3-yl)acetate
CID 10541758
ethyl 6-bromo-1-methyl-2-(methylaminomethyl)-5-naphthalen-1-ylindole-3-carboxylate
CID 170078093
diethyl phenanthrene-9,10-dicarboxylate
CID 135029572
diethyl 3,4-dihydroxy-1-phenylpyrrole-2,5-dicarboxylate
CID 2801528
ethyl 1-(dimethylcarbamoyl)-2-prop-2-enylindole-3-carboxylate
CID 72543908
ethyl 2-methyl-1-(4-oxopentanoyl)indole-3-carboxylate
CID 46243178
ethyl 4-hydroxy-2-methyl-5-nitroso-1-phenylbenzo[g]indole-3-carboxylate
CID 15420181
ethyl 2-hydroxy-4-phenylnaphthalene-1-carboxylate
CID 13200815
ethyl 10H-indolo[1,2-a]benzimidazole-11-carboxylate
CID 102334118
ethyl 5-acetyloxy-2-(carbamimidoylsulfanylmethyl)-1-phenylindole-3-carboxylate
CID 4589750
diethyl (2S,5R)-1,2,5-triphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
CID 92534220

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methylaminomethyl)-1-phenylindole-3-carboxylate?
The IUPAC name of ethyl 2-(methylaminomethyl)-1-phenylindole-3-carboxylate (CID 170071224) is ethyl 2-(methylaminomethyl)-1-phenylindole-3-carboxylate.
What is the SMILES notation for ethyl 2-(methylaminomethyl)-1-phenylindole-3-carboxylate?
The canonical SMILES for ethyl 2-(methylaminomethyl)-1-phenylindole-3-carboxylate is CCOC(=O)c1c(CNC)n(-c2ccccc2)c2ccccc12.
What is the InChIKey of ethyl 2-(methylaminomethyl)-1-phenylindole-3-carboxylate?
The InChIKey is OXUNGQLJHVICHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-3-23-19(22)18-15-11-7-8-12-16(15)21(17(18)13-20-2)14-9-5-4-6-10-14/h4-12,20H,3,13H2,1-2H3.
What are the key properties of ethyl 2-(methylaminomethyl)-1-phenylindole-3-carboxylate?
ethyl 2-(methylaminomethyl)-1-phenylindole-3-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methylaminomethyl)-1-phenylindole-3-carboxylate is sourced from PubChem (CID 170071224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).