ethyl 2-(aminomethyl)-6-methylbenzoate;hydrochloride

C11H16ClNO2 — CID 121231840

IUPACethyl 2-(aminomethyl)-6-methylbenzoate;hydrochloride
SMILESCCOC(=O)c1c(C)cccc1CN.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-3-14-11(13)10-8(2)5-4-6-9(10)7-12;/h4-6H,3,7,12H2,1-2H3;1H
InChIKeyZHYJUKUVZWNUPU-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.05
Rot. Bonds3

About ethyl 2-(aminomethyl)-6-methylbenzoate;hydrochloride

ethyl 2-(aminomethyl)-6-methylbenzoate;hydrochloride (PubChem CID 121231840) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-6-methylbenzoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-6-methylbenzoate;hydrochloride
PubChem CID121231840
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Nameethyl 2-(aminomethyl)-6-methylbenzoate;hydrochloride
SMILESCCOC(=O)c1c(C)cccc1CN.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-3-14-11(13)10-8(2)5-4-6-9(10)7-12;/h4-6H,3,7,12H2,1-2H3;1H
InChIKeyZHYJUKUVZWNUPU-UHFFFAOYSA-N
XLogP2.05
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2,6-dimethylbenzoate
CID 520807
ethyl 2-methyl-6-(2-oxopropyl)benzoate
CID 134632319
ethyl 2-methyl-6-(3-oxopropyl)benzoate
CID 134632321
ethyl 3-(aminomethyl)-2-hydroxybenzoate
CID 117275304
ethyl 2-methyl-6-methylsulfanylbenzoate
CID 91880992
ethyl 2-methyl-6-phenylbenzoate
CID 86249615
ethyl 2,3,6-trimethylbenzoate
CID 13126297
ethyl 2-(bromomethyl)-6-hydroxybenzoate
CID 69031020
ethyl 2-(2-hydroxyethoxy)-6-methylbenzoate
CID 10585223
ethyl 2,6-difluorobenzoate
CID 519631
ethyl 2-(2,6-dimethylphenyl)-2-oxoacetate
CID 24722257
ethyl 2-[(2-ethoxy-2-oxoethyl)amino]-6-methylbenzoate
CID 10706801

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-6-methylbenzoate;hydrochloride?
The IUPAC name of ethyl 2-(aminomethyl)-6-methylbenzoate;hydrochloride (CID 121231840) is ethyl 2-(aminomethyl)-6-methylbenzoate;hydrochloride.
What is the SMILES notation for ethyl 2-(aminomethyl)-6-methylbenzoate;hydrochloride?
The canonical SMILES for ethyl 2-(aminomethyl)-6-methylbenzoate;hydrochloride is CCOC(=O)c1c(C)cccc1CN.Cl.
What is the InChIKey of ethyl 2-(aminomethyl)-6-methylbenzoate;hydrochloride?
The InChIKey is ZHYJUKUVZWNUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.ClH/c1-3-14-11(13)10-8(2)5-4-6-9(10)7-12;/h4-6H,3,7,12H2,1-2H3;1H.
What are the key properties of ethyl 2-(aminomethyl)-6-methylbenzoate;hydrochloride?
ethyl 2-(aminomethyl)-6-methylbenzoate;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(aminomethyl)-6-methylbenzoate;hydrochloride is sourced from PubChem (CID 121231840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).