methyl 4-(ethylamino)-3-methylbenzoate

C11H15NO2 — CID 43730612

IUPACmethyl 4-(ethylamino)-3-methylbenzoate
SMILESCCNc1ccc(C(=O)OC)cc1C
InChIInChI=1S/C11H15NO2/c1-4-12-10-6-5-9(7-8(10)2)11(13)14-3/h5-7,12H,4H2,1-3H3
InChIKeyUANBLHOZOQJKNM-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.21
Rot. Bonds3

About methyl 4-(ethylamino)-3-methylbenzoate

methyl 4-(ethylamino)-3-methylbenzoate (PubChem CID 43730612) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl 4-(ethylamino)-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-(ethylamino)-3-methylbenzoate
PubChem CID43730612
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl 4-(ethylamino)-3-methylbenzoate
SMILESCCNc1ccc(C(=O)OC)cc1C
InChIInChI=1S/C11H15NO2/c1-4-12-10-6-5-9(7-8(10)2)11(13)14-3/h5-7,12H,4H2,1-3H3
InChIKeyUANBLHOZOQJKNM-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

methyl 4-[(3-hydroxy-2,2-dimethylpropyl)amino]-3-methylbenzoate
CID 81410818
methyl 4-[(3-methoxy-3-methylbutyl)amino]-3-methylbenzoate
CID 102975647
methyl 4-[(5-ethylthiophen-2-yl)methylamino]-3-methylbenzoate
CID 62347155
methyl 4-[(4-bromophenyl)methylamino]-3-methylbenzoate
CID 43730509
methyl 3-methyl-4-[(3,5,6-trimethylpyrazin-2-yl)methylamino]benzoate
CID 174534695
4-(ethylamino)-3-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 55163644
methyl 4-[(4-fluoro-3-methylphenyl)methylamino]-3-methylbenzoate
CID 62121107
4-(ethylamino)-N-(4-methoxybutan-2-yl)-3-methylbenzamide
CID 64605746
methyl 3-methyl-4-[(4-methylsulfanylphenyl)methylamino]benzoate
CID 43730494
methyl 4-hydroxy-3-methylbenzoate;propane
CID 145380615
methyl 4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-3-methylbenzoate
CID 24662266
methyl 4-[(5-chlorothiophen-2-yl)methylamino]-3-methylbenzoate
CID 43730493

Frequently Asked Questions

What is the IUPAC name of methyl 4-(ethylamino)-3-methylbenzoate?
The IUPAC name of methyl 4-(ethylamino)-3-methylbenzoate (CID 43730612) is methyl 4-(ethylamino)-3-methylbenzoate.
What is the SMILES notation for methyl 4-(ethylamino)-3-methylbenzoate?
The canonical SMILES for methyl 4-(ethylamino)-3-methylbenzoate is CCNc1ccc(C(=O)OC)cc1C.
What is the InChIKey of methyl 4-(ethylamino)-3-methylbenzoate?
The InChIKey is UANBLHOZOQJKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-4-12-10-6-5-9(7-8(10)2)11(13)14-3/h5-7,12H,4H2,1-3H3.
What are the key properties of methyl 4-(ethylamino)-3-methylbenzoate?
methyl 4-(ethylamino)-3-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 4-(ethylamino)-3-methylbenzoate is sourced from PubChem (CID 43730612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).