methyl 2-(benzylamino)-1,3-dihydroindene-2-carboxylate

C18H19NO2 — CID 60992152

IUPACmethyl 2-(benzylamino)-1,3-dihydroindene-2-carboxylate
SMILESCOC(=O)C1(NCc2ccccc2)Cc2ccccc2C1
InChIInChI=1S/C18H19NO2/c1-21-17(20)18(19-13-14-7-3-2-4-8-14)11-15-9-5-6-10-16(15)12-18/h2-10,19H,11-13H2,1H3
InChIKeyVMYHXQQXELKCMT-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.49
Rot. Bonds4

About methyl 2-(benzylamino)-1,3-dihydroindene-2-carboxylate

methyl 2-(benzylamino)-1,3-dihydroindene-2-carboxylate (PubChem CID 60992152) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is methyl 2-(benzylamino)-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-(benzylamino)-1,3-dihydroindene-2-carboxylate
PubChem CID60992152
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Namemethyl 2-(benzylamino)-1,3-dihydroindene-2-carboxylate
SMILESCOC(=O)C1(NCc2ccccc2)Cc2ccccc2C1
InChIInChI=1S/C18H19NO2/c1-21-17(20)18(19-13-14-7-3-2-4-8-14)11-15-9-5-6-10-16(15)12-18/h2-10,19H,11-13H2,1H3
InChIKeyVMYHXQQXELKCMT-UHFFFAOYSA-N
XLogP2.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(benzylamino)-1,3-dihydroindene-2-carboxylate 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 2-(benzylamino)-1,3-dihydroindene-2-carboxylate?
The IUPAC name of methyl 2-(benzylamino)-1,3-dihydroindene-2-carboxylate (CID 60992152) is methyl 2-(benzylamino)-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for methyl 2-(benzylamino)-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for methyl 2-(benzylamino)-1,3-dihydroindene-2-carboxylate is COC(=O)C1(NCc2ccccc2)Cc2ccccc2C1.
What is the InChIKey of methyl 2-(benzylamino)-1,3-dihydroindene-2-carboxylate?
The InChIKey is VMYHXQQXELKCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-21-17(20)18(19-13-14-7-3-2-4-8-14)11-15-9-5-6-10-16(15)12-18/h2-10,19H,11-13H2,1H3.
What are the key properties of methyl 2-(benzylamino)-1,3-dihydroindene-2-carboxylate?
methyl 2-(benzylamino)-1,3-dihydroindene-2-carboxylate has a molecular weight of 281.36 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(benzylamino)-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 60992152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).