methyl 3-(ethylamino)-5-methylbenzoate

C11H15NO2 — CID 58789800

IUPACmethyl 3-(ethylamino)-5-methylbenzoate
SMILESCCNc1cc(C)cc(C(=O)OC)c1
InChIInChI=1S/C11H15NO2/c1-4-12-10-6-8(2)5-9(7-10)11(13)14-3/h5-7,12H,4H2,1-3H3
InChIKeyYOLHRXMBXDEAFS-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.21
Rot. Bonds3

About methyl 3-(ethylamino)-5-methylbenzoate

methyl 3-(ethylamino)-5-methylbenzoate (PubChem CID 58789800) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl 3-(ethylamino)-5-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-(ethylamino)-5-methylbenzoate
PubChem CID58789800
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl 3-(ethylamino)-5-methylbenzoate
SMILESCCNc1cc(C)cc(C(=O)OC)c1
InChIInChI=1S/C11H15NO2/c1-4-12-10-6-8(2)5-9(7-10)11(13)14-3/h5-7,12H,4H2,1-3H3
InChIKeyYOLHRXMBXDEAFS-UHFFFAOYSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;methyl 3-bromo-5-methylbenzoate
CID 143959951
dimethyl 5-(propylamino)benzene-1,3-dicarboxylate
CID 63091629
dimethyl 5-(hydroxymethylamino)benzene-1,3-dicarboxylate
CID 58723142
methyl 3-[2-(3-methoxycarbonyl-5-methylphenyl)ethyl]-5-methylbenzoate
CID 118119638
3-methoxycarbonyl-5-methylbenzoic acid
CID 7210836
CID 89125580
CID 89125580
dimethyl 5-(2-aminoethylamino)benzene-1,3-dicarboxylate
CID 117097398
methyl 3-bromo-2-(ethylamino)-5-methylbenzoate
CID 18802802
3-(ethylamino)-5-methylphenol
CID 15404865
methyl 3-formyl-5-methylbenzoate
CID 58369548
methyl 3-methyl-5-(2-methylpropyl)benzoate
CID 118269257
methyl 4-(ethylamino)-3-methylbenzoate
CID 43730612

Frequently Asked Questions

What is the IUPAC name of methyl 3-(ethylamino)-5-methylbenzoate?
The IUPAC name of methyl 3-(ethylamino)-5-methylbenzoate (CID 58789800) is methyl 3-(ethylamino)-5-methylbenzoate.
What is the SMILES notation for methyl 3-(ethylamino)-5-methylbenzoate?
The canonical SMILES for methyl 3-(ethylamino)-5-methylbenzoate is CCNc1cc(C)cc(C(=O)OC)c1.
What is the InChIKey of methyl 3-(ethylamino)-5-methylbenzoate?
The InChIKey is YOLHRXMBXDEAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-4-12-10-6-8(2)5-9(7-10)11(13)14-3/h5-7,12H,4H2,1-3H3.
What are the key properties of methyl 3-(ethylamino)-5-methylbenzoate?
methyl 3-(ethylamino)-5-methylbenzoate has a molecular weight of 193.25 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(ethylamino)-5-methylbenzoate is sourced from PubChem (CID 58789800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).