methyl 1-(2-amino-2-methylpropyl)-3-methoxy-6-methylindole-2-carboxylate;hydrochloride

C16H23ClN2O3 — CID 70533104

IUPACmethyl 1-(2-amino-2-methylpropyl)-3-methoxy-6-methylindole-2-carboxylate;hydrochloride
SMILESCOC(=O)c1c(OC)c2ccc(C)cc2n1CC(C)(C)N.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-10-6-7-11-12(8-10)18(9-16(2,3)17)13(14(11)20-4)15(19)21-5;/h6-8H,9,17H2,1-5H3;1H
InChIKeyPDEDXYRSWJRGHA-UHFFFAOYSA-N
MW326.82 g/mol
LogP2.90
Rot. Bonds4

About methyl 1-(2-amino-2-methylpropyl)-3-methoxy-6-methylindole-2-carboxylate;hydrochloride

methyl 1-(2-amino-2-methylpropyl)-3-methoxy-6-methylindole-2-carboxylate;hydrochloride (PubChem CID 70533104) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is methyl 1-(2-amino-2-methylpropyl)-3-methoxy-6-methylindole-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-(2-amino-2-methylpropyl)-3-methoxy-6-methylindole-2-carboxylate;hydrochloride
PubChem CID70533104
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Namemethyl 1-(2-amino-2-methylpropyl)-3-methoxy-6-methylindole-2-carboxylate;hydrochloride
SMILESCOC(=O)c1c(OC)c2ccc(C)cc2n1CC(C)(C)N.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-10-6-7-11-12(8-10)18(9-16(2,3)17)13(14(11)20-4)15(19)21-5;/h6-8H,9,17H2,1-5H3;1H
InChIKeyPDEDXYRSWJRGHA-UHFFFAOYSA-N
XLogP2.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-(2-amino-2-methylpropyl)-3-methoxy-6-methylindole-2-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-amino-2-methylpropyl)-3-methoxy-6-methylindole-2-carboxylate;hydrochloride?
The IUPAC name of methyl 1-(2-amino-2-methylpropyl)-3-methoxy-6-methylindole-2-carboxylate;hydrochloride (CID 70533104) is methyl 1-(2-amino-2-methylpropyl)-3-methoxy-6-methylindole-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-(2-amino-2-methylpropyl)-3-methoxy-6-methylindole-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-(2-amino-2-methylpropyl)-3-methoxy-6-methylindole-2-carboxylate;hydrochloride is COC(=O)c1c(OC)c2ccc(C)cc2n1CC(C)(C)N.Cl.
What is the InChIKey of methyl 1-(2-amino-2-methylpropyl)-3-methoxy-6-methylindole-2-carboxylate;hydrochloride?
The InChIKey is PDEDXYRSWJRGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3.ClH/c1-10-6-7-11-12(8-10)18(9-16(2,3)17)13(14(11)20-4)15(19)21-5;/h6-8H,9,17H2,1-5H3;1H.
What are the key properties of methyl 1-(2-amino-2-methylpropyl)-3-methoxy-6-methylindole-2-carboxylate;hydrochloride?
methyl 1-(2-amino-2-methylpropyl)-3-methoxy-6-methylindole-2-carboxylate;hydrochloride has a molecular weight of 326.82 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-amino-2-methylpropyl)-3-methoxy-6-methylindole-2-carboxylate;hydrochloride is sourced from PubChem (CID 70533104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).