methyl 2-(ethylamino)-6-methylbenzoate

C11H15NO2 — CID 130734584

IUPACmethyl 2-(ethylamino)-6-methylbenzoate
SMILESCCNc1cccc(C)c1C(=O)OC
InChIInChI=1S/C11H15NO2/c1-4-12-9-7-5-6-8(2)10(9)11(13)14-3/h5-7,12H,4H2,1-3H3
InChIKeyXWPBVYKDXBDUGY-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.21
Rot. Bonds3

About methyl 2-(ethylamino)-6-methylbenzoate

methyl 2-(ethylamino)-6-methylbenzoate (PubChem CID 130734584) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl 2-(ethylamino)-6-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-6-methylbenzoate
PubChem CID130734584
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl 2-(ethylamino)-6-methylbenzoate
SMILESCCNc1cccc(C)c1C(=O)OC
InChIInChI=1S/C11H15NO2/c1-4-12-9-7-5-6-8(2)10(9)11(13)14-3/h5-7,12H,4H2,1-3H3
InChIKeyXWPBVYKDXBDUGY-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

2-(ethylamino)-6-methylbenzoic acid
CID 13478134
2-(diethylamino)ethyl 2-(ethylamino)-6-methylbenzoate;dihydrochloride
CID 13478121
ethyl 2-[(2-ethoxy-2-oxoethyl)amino]-6-methylbenzoate
CID 10706801
methyl 4-(ethylamino)-3-methylbenzoate
CID 43730612
dimethyl 3-methylbenzene-1,2-dicarboxylate;ethane
CID 144706370
methyl 2-methyl-6-methylsulfonylbenzoate
CID 174534028
ethyl 2,6-dimethylbenzoate
CID 520807
ethane;methyl 2-methyl-6-propan-2-ylbenzoate
CID 144651677
methyl 2-(3-chloro-2-oxopropyl)-6-methylbenzoate
CID 134633955
CID 175798397
CID 175798397
methyl 2-methyl-6-[(3,4,5-trimethoxybenzoyl)amino]benzoate
CID 17416979
methyl 2-[(3-bromophenyl)sulfonylamino]-6-methylbenzoate
CID 17480748

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-6-methylbenzoate?
The IUPAC name of methyl 2-(ethylamino)-6-methylbenzoate (CID 130734584) is methyl 2-(ethylamino)-6-methylbenzoate.
What is the SMILES notation for methyl 2-(ethylamino)-6-methylbenzoate?
The canonical SMILES for methyl 2-(ethylamino)-6-methylbenzoate is CCNc1cccc(C)c1C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-6-methylbenzoate?
The InChIKey is XWPBVYKDXBDUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-4-12-9-7-5-6-8(2)10(9)11(13)14-3/h5-7,12H,4H2,1-3H3.
What are the key properties of methyl 2-(ethylamino)-6-methylbenzoate?
methyl 2-(ethylamino)-6-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 2-(ethylamino)-6-methylbenzoate is sourced from PubChem (CID 130734584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).