methyl 2-(methylamino)benzoate;hydrochloride

C9H12ClNO2 — CID 141440626

IUPACmethyl 2-(methylamino)benzoate;hydrochloride
SMILESCNc1ccccc1C(=O)OC.Cl
InChIInChI=1S/C9H11NO2.ClH/c1-10-8-6-4-3-5-7(8)9(11)12-2;/h3-6,10H,1-2H3;1H
InChIKeyGTXUKVZSVRPWRQ-UHFFFAOYSA-N
MW201.65 g/mol
LogP1.94
Rot. Bonds2

About methyl 2-(methylamino)benzoate;hydrochloride

methyl 2-(methylamino)benzoate;hydrochloride (PubChem CID 141440626) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is methyl 2-(methylamino)benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(methylamino)benzoate;hydrochloride
PubChem CID141440626
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Namemethyl 2-(methylamino)benzoate;hydrochloride
SMILESCNc1ccccc1C(=O)OC.Cl
InChIInChI=1S/C9H11NO2.ClH/c1-10-8-6-4-3-5-7(8)9(11)12-2;/h3-6,10H,1-2H3;1H
InChIKeyGTXUKVZSVRPWRQ-UHFFFAOYSA-N
XLogP1.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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phosphanyl 2-(methylamino)benzoate
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dimethyl benzene-1,2-dicarboxylate;methane
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2-iodoethyl 2-(methylamino)benzoate
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methyl 2-(furan-2-ylmethylamino)benzoate
CID 43087160
methyl 2-(2,2-dimethylpropylamino)benzoate
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methyl 2-(2,2-dimethylpropanoylamino)benzoate
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methyl 2-(cyclopropylamino)benzoate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-(methylamino)benzoate;hydrochloride?
The IUPAC name of methyl 2-(methylamino)benzoate;hydrochloride (CID 141440626) is methyl 2-(methylamino)benzoate;hydrochloride.
What is the SMILES notation for methyl 2-(methylamino)benzoate;hydrochloride?
The canonical SMILES for methyl 2-(methylamino)benzoate;hydrochloride is CNc1ccccc1C(=O)OC.Cl.
What is the InChIKey of methyl 2-(methylamino)benzoate;hydrochloride?
The InChIKey is GTXUKVZSVRPWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.ClH/c1-10-8-6-4-3-5-7(8)9(11)12-2;/h3-6,10H,1-2H3;1H.
What are the key properties of methyl 2-(methylamino)benzoate;hydrochloride?
methyl 2-(methylamino)benzoate;hydrochloride has a molecular weight of 201.65 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methylamino)benzoate;hydrochloride is sourced from PubChem (CID 141440626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).