methyl 2-(4-aminophenyl)-2-methylpropanoate;hydrochloride

C11H16ClNO2 — CID 67366165

IUPACmethyl 2-(4-aminophenyl)-2-methylpropanoate;hydrochloride
SMILESCOC(=O)C(C)(C)c1ccc(N)cc1.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-11(2,10(13)14-3)8-4-6-9(12)7-5-8;/h4-7H,12H2,1-3H3;1H
InChIKeyPGZFKXXRJKALRJ-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.14
Rot. Bonds2

About methyl 2-(4-aminophenyl)-2-methylpropanoate;hydrochloride

methyl 2-(4-aminophenyl)-2-methylpropanoate;hydrochloride (PubChem CID 67366165) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is methyl 2-(4-aminophenyl)-2-methylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(4-aminophenyl)-2-methylpropanoate;hydrochloride
PubChem CID67366165
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Namemethyl 2-(4-aminophenyl)-2-methylpropanoate;hydrochloride
SMILESCOC(=O)C(C)(C)c1ccc(N)cc1.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-11(2,10(13)14-3)8-4-6-9(12)7-5-8;/h4-7H,12H2,1-3H3;1H
InChIKeyPGZFKXXRJKALRJ-UHFFFAOYSA-N
XLogP2.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-aminophenyl)-2-methylpropanoate;hydrochloride?
The IUPAC name of methyl 2-(4-aminophenyl)-2-methylpropanoate;hydrochloride (CID 67366165) is methyl 2-(4-aminophenyl)-2-methylpropanoate;hydrochloride.
What is the SMILES notation for methyl 2-(4-aminophenyl)-2-methylpropanoate;hydrochloride?
The canonical SMILES for methyl 2-(4-aminophenyl)-2-methylpropanoate;hydrochloride is COC(=O)C(C)(C)c1ccc(N)cc1.Cl.
What is the InChIKey of methyl 2-(4-aminophenyl)-2-methylpropanoate;hydrochloride?
The InChIKey is PGZFKXXRJKALRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.ClH/c1-11(2,10(13)14-3)8-4-6-9(12)7-5-8;/h4-7H,12H2,1-3H3;1H.
What are the key properties of methyl 2-(4-aminophenyl)-2-methylpropanoate;hydrochloride?
methyl 2-(4-aminophenyl)-2-methylpropanoate;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-aminophenyl)-2-methylpropanoate;hydrochloride is sourced from PubChem (CID 67366165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).