[1-(4-chlorophenyl)-3-(dimethylamino)propyl] 1-methylindole-2-carboxylate

C₂₁H₂₃ClN₂O₂ — CID 15983325

About [1-(4-chlorophenyl)-3-(dimethylamino)propyl] 1-methylindole-2-carboxylate

[1-(4-chlorophenyl)-3-(dimethylamino)propyl] 1-methylindole-2-carboxylate (PubChem CID 15983325) has the molecular formula C₂₁H₂₃ClN₂O₂ and a molecular weight of 370.88 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-3-(dimethylamino)propyl] 1-methylindole-2-carboxylate.

Molecular Properties

• Compound Name: [1-(4-chlorophenyl)-3-(dimethylamino)propyl] 1-methylindole-2-carboxylate
• PubChem CID: 15983325
• Molecular Formula: C₂₁H₂₃ClN₂O₂
• Molecular Weight: 370.88 g/mol
• Exact Mass: 370.14
• IUPAC Name: [1-(4-chlorophenyl)-3-(dimethylamino)propyl] 1-methylindole-2-carboxylate
• SMILES: CN(C)CCC(OC(=O)c1cc2ccccc2n1C)c1ccc(Cl)cc1
• InChI: InChI=1S/C21H23ClN2O2/c1-23(2)13-12-20(15-8-10-17(22)11-9-15)26-21(25)19-14-16-6-4-5-7-18(16)24(19)3/h4-11,14,20H,12-13H2,1-3H3
• InChIKey: BMAXKTGAPQGADW-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 34.47 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.88
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-3-(dimethylamino)propyl] 1-methylindole-2-carboxylate?

The IUPAC name of [1-(4-chlorophenyl)-3-(dimethylamino)propyl] 1-methylindole-2-carboxylate (CID 15983325) is [1-(4-chlorophenyl)-3-(dimethylamino)propyl] 1-methylindole-2-carboxylate.

What is the SMILES notation for [1-(4-chlorophenyl)-3-(dimethylamino)propyl] 1-methylindole-2-carboxylate?

The canonical SMILES for [1-(4-chlorophenyl)-3-(dimethylamino)propyl] 1-methylindole-2-carboxylate is CN(C)CCC(OC(=O)c1cc2ccccc2n1C)c1ccc(Cl)cc1.

What is the InChIKey of [1-(4-chlorophenyl)-3-(dimethylamino)propyl] 1-methylindole-2-carboxylate?

The InChIKey is BMAXKTGAPQGADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-23(2)13-12-20(15-8-10-17(22)11-9-15)26-21(25)19-14-16-6-4-5-7-18(16)24(19)3/h4-11,14,20H,12-13H2,1-3H3.

What are the key properties of [1-(4-chlorophenyl)-3-(dimethylamino)propyl] 1-methylindole-2-carboxylate?

[1-(4-chlorophenyl)-3-(dimethylamino)propyl] 1-methylindole-2-carboxylate has a molecular weight of 370.88 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(4-chlorophenyl)-3-(dimethylamino)propyl] 1-methylindole-2-carboxylate is sourced from PubChem (CID 15983325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15983325 — identifiers, structure, computed properties (public domain)

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