methyl 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]benzoate

C18H19NO2 — CID 103656733

IUPACmethyl 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]benzoate
SMILESCOC(=O)c1ccc(CNC2Cc3ccccc3C2)cc1
InChIInChI=1S/C18H19NO2/c1-21-18(20)14-8-6-13(7-9-14)12-19-17-10-15-4-2-3-5-16(15)11-17/h2-9,17,19H,10-12H2,1H3
InChIKeyITUNMQMCDGFPIE-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.73
Rot. Bonds4

About methyl 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]benzoate

methyl 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]benzoate (PubChem CID 103656733) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is methyl 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]benzoate
PubChem CID103656733
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Namemethyl 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]benzoate
SMILESCOC(=O)c1ccc(CNC2Cc3ccccc3C2)cc1
InChIInChI=1S/C18H19NO2/c1-21-18(20)14-8-6-13(7-9-14)12-19-17-10-15-4-2-3-5-16(15)11-17/h2-9,17,19H,10-12H2,1H3
InChIKeyITUNMQMCDGFPIE-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]benzoate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 4-[[[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]methyl]benzoate
CID 45196937
methyl 4-[(cyclopropylamino)methyl]benzoate
CID 16784234
methyl 4-[(oxan-4-ylamino)methyl]benzoate
CID 43609902
methyl 4-[[[4-chloro-6-(2,3-dihydro-1H-inden-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]benzoate
CID 22478849
methyl 4-[(thiolan-3-ylamino)methyl]benzoate
CID 103923433
methyl 4-[(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)methyl]benzoate
CID 51355167
methyl 4-[[(6-oxopiperidin-3-yl)amino]methyl]benzoate
CID 63663688
methyl 4-[[(1,1-dioxothiolan-3-yl)amino]methyl]benzoate
CID 43177605
ethane;methyl 4-[(benzylamino)methyl]benzoate
CID 144842755
methyl 4-[[(3-carbamoylcyclohexyl)amino]methyl]benzoate
CID 75516263
methyl (3S)-2-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate
CID 8758657
methyl 5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-methylfuran-3-carboxylate
CID 103830750

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]benzoate?
The IUPAC name of methyl 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]benzoate (CID 103656733) is methyl 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]benzoate.
What is the SMILES notation for methyl 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]benzoate?
The canonical SMILES for methyl 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]benzoate is COC(=O)c1ccc(CNC2Cc3ccccc3C2)cc1.
What is the InChIKey of methyl 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]benzoate?
The InChIKey is ITUNMQMCDGFPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-21-18(20)14-8-6-13(7-9-14)12-19-17-10-15-4-2-3-5-16(15)11-17/h2-9,17,19H,10-12H2,1H3.
What are the key properties of methyl 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]benzoate?
methyl 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]benzoate has a molecular weight of 281.36 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]benzoate is sourced from PubChem (CID 103656733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).