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

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Related Compounds

2-(benzylamino)-1,3-dihydroindene-2-carboxylic acid
CID 60992148
methyl 2-(thiophen-2-ylmethylamino)-1,3-dihydroindene-2-carboxylate
CID 61001704
methyl 2-(2,2,2-trifluoroethylamino)-1,3-dihydroindene-2-carboxylate
CID 54892948
methyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate
CID 64513799
methyl 4-(benzylamino)-1-propylpiperidine-4-carboxylate
CID 60992679
2-(3-methoxypropylamino)-1,3-dihydroindene-2-carboxylic acid
CID 114992564
methyl 1-[[4-(hydroxymethyl)phenyl]methylamino]cyclopentane-1-carboxylate
CID 110009645
ethyl 1-(benzylamino)cyclooctane-1-carboxylate
CID 63524439
methyl 4-[(4-bromophenyl)methylamino]-1-phenylpiperidine-4-carboxylate
CID 138707390
2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxylic acid
CID 61001565
1-(benzylamino)cycloheptane-1-carboxylic acid
CID 60991600
2-[(2-methylsulfonylphenyl)methylamino]-1,3-dihydroindene-2-carboxylic acid
CID 141221672

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).