methyl 2-(2,3-dihydro-1H-inden-1-ylamino)-5-methylbenzoate

C18H19NO2 — CID 43679244

IUPACmethyl 2-(2,3-dihydro-1H-inden-1-ylamino)-5-methylbenzoate
SMILESCOC(=O)c1cc(C)ccc1NC1CCc2ccccc21
InChIInChI=1S/C18H19NO2/c1-12-7-9-17(15(11-12)18(20)21-2)19-16-10-8-13-5-3-4-6-14(13)16/h3-7,9,11,16,19H,8,10H2,1-2H3
InChIKeyFHLXHCWNMKQZLH-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.88
Rot. Bonds3

About methyl 2-(2,3-dihydro-1H-inden-1-ylamino)-5-methylbenzoate

methyl 2-(2,3-dihydro-1H-inden-1-ylamino)-5-methylbenzoate (PubChem CID 43679244) 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-1-ylamino)-5-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-(2,3-dihydro-1H-inden-1-ylamino)-5-methylbenzoate
PubChem CID43679244
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Namemethyl 2-(2,3-dihydro-1H-inden-1-ylamino)-5-methylbenzoate
SMILESCOC(=O)c1cc(C)ccc1NC1CCc2ccccc21
InChIInChI=1S/C18H19NO2/c1-12-7-9-17(15(11-12)18(20)21-2)19-16-10-8-13-5-3-4-6-14(13)16/h3-7,9,11,16,19H,8,10H2,1-2H3
InChIKeyFHLXHCWNMKQZLH-UHFFFAOYSA-N
XLogP3.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(cyclopentylamino)-5-methylbenzoate
CID 43679174
methyl 6-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]pyridazine-3-carboxylate
CID 95324954
methyl 2-[(3-aminocyclobutyl)amino]-5-methylbenzoate
CID 80559743
N-(2,3-dihydro-1H-inden-1-yl)-5-(4-methylphenyl)pyridin-2-amine
CID 46207514
N-[3-(2,3-dihydro-1H-inden-1-ylamino)-4-fluorophenyl]acetamide
CID 43672603
2,5-dimethyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7919785
ethyl 4-(2,3-dihydro-1H-inden-1-ylamino)benzoate
CID 43321711
methyl 2-methoxy-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate
CID 133488083
N-(2,3-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43196442
N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43195451
methyl (E)-3-(2,3-dihydro-1H-inden-1-ylamino)prop-2-enoate
CID 103239478
methyl 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-5-fluorobenzoate
CID 81234261

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dihydro-1H-inden-1-ylamino)-5-methylbenzoate?
The IUPAC name of methyl 2-(2,3-dihydro-1H-inden-1-ylamino)-5-methylbenzoate (CID 43679244) is methyl 2-(2,3-dihydro-1H-inden-1-ylamino)-5-methylbenzoate.
What is the SMILES notation for methyl 2-(2,3-dihydro-1H-inden-1-ylamino)-5-methylbenzoate?
The canonical SMILES for methyl 2-(2,3-dihydro-1H-inden-1-ylamino)-5-methylbenzoate is COC(=O)c1cc(C)ccc1NC1CCc2ccccc21.
What is the InChIKey of methyl 2-(2,3-dihydro-1H-inden-1-ylamino)-5-methylbenzoate?
The InChIKey is FHLXHCWNMKQZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-12-7-9-17(15(11-12)18(20)21-2)19-16-10-8-13-5-3-4-6-14(13)16/h3-7,9,11,16,19H,8,10H2,1-2H3.
What are the key properties of methyl 2-(2,3-dihydro-1H-inden-1-ylamino)-5-methylbenzoate?
methyl 2-(2,3-dihydro-1H-inden-1-ylamino)-5-methylbenzoate has a molecular weight of 281.36 g/mol, XLogP of 3.88, 3 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-1-ylamino)-5-methylbenzoate is sourced from PubChem (CID 43679244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).