2-(dimethylamino)ethyl 1-benzylindole-3-carboxylate;hydrochloride

C20H23ClN2O2 — CID 6603257

IUPAC2-(dimethylamino)ethyl 1-benzylindole-3-carboxylate;hydrochloride
SMILESCN(C)CCOC(=O)c1cn(Cc2ccccc2)c2ccccc12.Cl
InChIInChI=1S/C20H22N2O2.ClH/c1-21(2)12-13-24-20(23)18-15-22(14-16-8-4-3-5-9-16)19-11-7-6-10-17(18)19;/h3-11,15H,12-14H2,1-2H3;1H
InChIKeyCNMZAVGTJMZVEL-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.83
Rot. Bonds6

About 2-(dimethylamino)ethyl 1-benzylindole-3-carboxylate;hydrochloride

2-(dimethylamino)ethyl 1-benzylindole-3-carboxylate;hydrochloride (PubChem CID 6603257) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 1-benzylindole-3-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 1-benzylindole-3-carboxylate;hydrochloride
PubChem CID6603257
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name2-(dimethylamino)ethyl 1-benzylindole-3-carboxylate;hydrochloride
SMILESCN(C)CCOC(=O)c1cn(Cc2ccccc2)c2ccccc12.Cl
InChIInChI=1S/C20H22N2O2.ClH/c1-21(2)12-13-24-20(23)18-15-22(14-16-8-4-3-5-9-16)19-11-7-6-10-17(18)19;/h3-11,15H,12-14H2,1-2H3;1H
InChIKeyCNMZAVGTJMZVEL-UHFFFAOYSA-N
XLogP3.83
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 1-benzylindole-3-carboxylate;hydrochloride?
The IUPAC name of 2-(dimethylamino)ethyl 1-benzylindole-3-carboxylate;hydrochloride (CID 6603257) is 2-(dimethylamino)ethyl 1-benzylindole-3-carboxylate;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)ethyl 1-benzylindole-3-carboxylate;hydrochloride?
The canonical SMILES for 2-(dimethylamino)ethyl 1-benzylindole-3-carboxylate;hydrochloride is CN(C)CCOC(=O)c1cn(Cc2ccccc2)c2ccccc12.Cl.
What is the InChIKey of 2-(dimethylamino)ethyl 1-benzylindole-3-carboxylate;hydrochloride?
The InChIKey is CNMZAVGTJMZVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2.ClH/c1-21(2)12-13-24-20(23)18-15-22(14-16-8-4-3-5-9-16)19-11-7-6-10-17(18)19;/h3-11,15H,12-14H2,1-2H3;1H.
What are the key properties of 2-(dimethylamino)ethyl 1-benzylindole-3-carboxylate;hydrochloride?
2-(dimethylamino)ethyl 1-benzylindole-3-carboxylate;hydrochloride has a molecular weight of 358.87 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 1-benzylindole-3-carboxylate;hydrochloride is sourced from PubChem (CID 6603257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).