methyl 2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]benzoate

C18H19NO2 — CID 43760885

IUPACmethyl 2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]benzoate
SMILESCOC(=O)c1ccccc1CNc1ccc2c(c1)CCC2
InChIInChI=1S/C18H19NO2/c1-21-18(20)17-8-3-2-5-15(17)12-19-16-10-9-13-6-4-7-14(13)11-16/h2-3,5,8-11,19H,4,6-7,12H2,1H3
InChIKeyGBARJVUNQUKFOC-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.57
Rot. Bonds4

About methyl 2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]benzoate

methyl 2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]benzoate (PubChem CID 43760885) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is methyl 2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]benzoate
PubChem CID43760885
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Namemethyl 2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]benzoate
SMILESCOC(=O)c1ccccc1CNc1ccc2c(c1)CCC2
InChIInChI=1S/C18H19NO2/c1-21-18(20)17-8-3-2-5-15(17)12-19-16-10-9-13-6-4-7-14(13)11-16/h2-3,5,8-11,19H,4,6-7,12H2,1H3
InChIKeyGBARJVUNQUKFOC-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(4-fluoro-3-methylanilino)methyl]benzoate
CID 62810538
3-[(2,3-dihydro-1H-inden-5-ylamino)methyl]benzene-1,2-diol
CID 61319273
methyl 2-[(3-cyanoanilino)methyl]benzoate
CID 43762462
methyl 2-amino-3-(2,3-dihydro-1H-inden-5-ylamino)benzoate
CID 115544378
methyl 2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzoate
CID 43715405
1-(2,3-dihydro-1H-inden-5-ylamino)propan-2-one
CID 115234414
N-[(2-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 102876223
N-[(5-bromo-2-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 784383
2-(2,3-dihydro-1H-inden-5-ylamino)-N-(2-methoxyphenyl)acetamide
CID 43826278
methyl 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)benzoate
CID 4793271
methyl 2-[(piperidin-1-ylamino)methyl]benzoate
CID 83006496
5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 103233603

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]benzoate?
The IUPAC name of methyl 2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]benzoate (CID 43760885) is methyl 2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]benzoate.
What is the SMILES notation for methyl 2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]benzoate?
The canonical SMILES for methyl 2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]benzoate is COC(=O)c1ccccc1CNc1ccc2c(c1)CCC2.
What is the InChIKey of methyl 2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]benzoate?
The InChIKey is GBARJVUNQUKFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-21-18(20)17-8-3-2-5-15(17)12-19-16-10-9-13-6-4-7-14(13)11-16/h2-3,5,8-11,19H,4,6-7,12H2,1H3.
What are the key properties of methyl 2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]benzoate?
methyl 2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]benzoate has a molecular weight of 281.36 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]benzoate is sourced from PubChem (CID 43760885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).