methyl 4-(2-aminopropan-2-yl)benzoate;hydrochloride

C11H16ClNO2 — CID 75365746

IUPACmethyl 4-(2-aminopropan-2-yl)benzoate;hydrochloride
SMILESCOC(=O)c1ccc(C(C)(C)N)cc1.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-11(2,12)9-6-4-8(5-7-9)10(13)14-3;/h4-7H,12H2,1-3H3;1H
InChIKeyVZHWUUQLXMHPDB-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.09
Rot. Bonds2

About methyl 4-(2-aminopropan-2-yl)benzoate;hydrochloride

methyl 4-(2-aminopropan-2-yl)benzoate;hydrochloride (PubChem CID 75365746) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is methyl 4-(2-aminopropan-2-yl)benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-(2-aminopropan-2-yl)benzoate;hydrochloride
PubChem CID75365746
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Namemethyl 4-(2-aminopropan-2-yl)benzoate;hydrochloride
SMILESCOC(=O)c1ccc(C(C)(C)N)cc1.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-11(2,12)9-6-4-8(5-7-9)10(13)14-3;/h4-7H,12H2,1-3H3;1H
InChIKeyVZHWUUQLXMHPDB-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 4-(chlorocarbamoyl)benzoate
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dimethyl benzene-1,4-dicarboxylate;methanol;terephthalic acid
CID 159205173
CID 67391169
CID 67391169
CID 131861804
CID 131861804
methyl 4-(2-amino-2-methylpropoxy)benzoate
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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-aminopropan-2-yl)benzoate;hydrochloride?
The IUPAC name of methyl 4-(2-aminopropan-2-yl)benzoate;hydrochloride (CID 75365746) is methyl 4-(2-aminopropan-2-yl)benzoate;hydrochloride.
What is the SMILES notation for methyl 4-(2-aminopropan-2-yl)benzoate;hydrochloride?
The canonical SMILES for methyl 4-(2-aminopropan-2-yl)benzoate;hydrochloride is COC(=O)c1ccc(C(C)(C)N)cc1.Cl.
What is the InChIKey of methyl 4-(2-aminopropan-2-yl)benzoate;hydrochloride?
The InChIKey is VZHWUUQLXMHPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.ClH/c1-11(2,12)9-6-4-8(5-7-9)10(13)14-3;/h4-7H,12H2,1-3H3;1H.
What are the key properties of methyl 4-(2-aminopropan-2-yl)benzoate;hydrochloride?
methyl 4-(2-aminopropan-2-yl)benzoate;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-aminopropan-2-yl)benzoate;hydrochloride is sourced from PubChem (CID 75365746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).