ethyl 3-[(dimethylamino)methyl]-5-methyl-1H-indole-2-carboxylate

C15H20N2O2 — CID 938498

IUPACethyl 3-[(dimethylamino)methyl]-5-methyl-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccc(C)cc2c1CN(C)C
InChIInChI=1S/C15H20N2O2/c1-5-19-15(18)14-12(9-17(3)4)11-8-10(2)6-7-13(11)16-14/h6-8,16H,5,9H2,1-4H3
InChIKeyALIPQEVYXTZDDS-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.71
Rot. Bonds4

About ethyl 3-[(dimethylamino)methyl]-5-methyl-1H-indole-2-carboxylate

ethyl 3-[(dimethylamino)methyl]-5-methyl-1H-indole-2-carboxylate (PubChem CID 938498) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is ethyl 3-[(dimethylamino)methyl]-5-methyl-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(dimethylamino)methyl]-5-methyl-1H-indole-2-carboxylate
PubChem CID938498
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Nameethyl 3-[(dimethylamino)methyl]-5-methyl-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccc(C)cc2c1CN(C)C
InChIInChI=1S/C15H20N2O2/c1-5-19-15(18)14-12(9-17(3)4)11-8-10(2)6-7-13(11)16-14/h6-8,16H,5,9H2,1-4H3
InChIKeyALIPQEVYXTZDDS-UHFFFAOYSA-N
XLogP2.71
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[(dimethylamino)methyl]-5-methoxy-1H-indole-2-carboxylate
CID 907671
ethyl 3,6-dimethyl-4-oxo-1H-quinoline-2-carboxylate
CID 19603453
ethyl 3-[1-(dimethylamino)ethylideneamino]-5-methyl-1H-indole-2-carboxylate
CID 651973
ethyl 3-ethyl-5-fluoro-1H-indole-2-carboxylate
CID 18986264
ethyl 3-[2-(dimethylamino)ethyl]-1H-indole-2-carboxylate
CID 11747350
ethyl 3-(4-chlorophenyl)sulfanyl-5-methyl-1H-indole-2-carboxylate
CID 71625158
ethyl 3-(2-ethoxy-2-oxoethyl)-5-methoxy-1H-indole-2-carboxylate
CID 10590673
[2-[(2-ethoxycarbonyl-5-methyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium
CID 3714986
ethyl 3-benzamido-5-methyl-1H-indole-2-carboxylate
CID 100981715
ethyl 3-(aminomethyl)-5-phenoxy-1H-indole-2-carboxylate
CID 94949097
ethyl 5-hydroxy-3-methyl-1H-indole-2-carboxylate
CID 68865271
ethyl 5-methyl-3-[(2-piperidin-1-ium-1-ylacetyl)amino]-1H-indole-2-carboxylate
CID 6944323

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(dimethylamino)methyl]-5-methyl-1H-indole-2-carboxylate?
The IUPAC name of ethyl 3-[(dimethylamino)methyl]-5-methyl-1H-indole-2-carboxylate (CID 938498) is ethyl 3-[(dimethylamino)methyl]-5-methyl-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 3-[(dimethylamino)methyl]-5-methyl-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 3-[(dimethylamino)methyl]-5-methyl-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2ccc(C)cc2c1CN(C)C.
What is the InChIKey of ethyl 3-[(dimethylamino)methyl]-5-methyl-1H-indole-2-carboxylate?
The InChIKey is ALIPQEVYXTZDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-5-19-15(18)14-12(9-17(3)4)11-8-10(2)6-7-13(11)16-14/h6-8,16H,5,9H2,1-4H3.
What are the key properties of ethyl 3-[(dimethylamino)methyl]-5-methyl-1H-indole-2-carboxylate?
ethyl 3-[(dimethylamino)methyl]-5-methyl-1H-indole-2-carboxylate has a molecular weight of 260.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(dimethylamino)methyl]-5-methyl-1H-indole-2-carboxylate is sourced from PubChem (CID 938498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).