methyl 4-(2-amino-2-methylpropoxy)benzoate

C12H17NO3 — CID 117053561

IUPACmethyl 4-(2-amino-2-methylpropoxy)benzoate
SMILESCOC(=O)c1ccc(OCC(C)(C)N)cc1
InChIInChI=1S/C12H17NO3/c1-12(2,13)8-16-10-6-4-9(5-7-10)11(14)15-3/h4-7H,8,13H2,1-3H3
InChIKeyHFMUJQVJYCROND-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.59
Rot. Bonds4

About methyl 4-(2-amino-2-methylpropoxy)benzoate

methyl 4-(2-amino-2-methylpropoxy)benzoate (PubChem CID 117053561) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is methyl 4-(2-amino-2-methylpropoxy)benzoate.

Molecular Properties

Compound Namemethyl 4-(2-amino-2-methylpropoxy)benzoate
PubChem CID117053561
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namemethyl 4-(2-amino-2-methylpropoxy)benzoate
SMILESCOC(=O)c1ccc(OCC(C)(C)N)cc1
InChIInChI=1S/C12H17NO3/c1-12(2,13)8-16-10-6-4-9(5-7-10)11(14)15-3/h4-7H,8,13H2,1-3H3
InChIKeyHFMUJQVJYCROND-UHFFFAOYSA-N
XLogP1.59
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(2,2-dimethylpropanoyloxymethoxy)benzoate
CID 175855563
1-(4-methoxyphenoxy)-2-methylpropan-2-amine
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methyl 4-(2-methylbutan-2-yloxy)benzoate
CID 71046237
methyl 4-[2-(fluoroamino)ethoxy]benzoate
CID 143872134
methyl 4-(4-hydroxy-4-methylpent-2-ynoxy)benzoate
CID 59323961
methyl 4-[2-(bromomethyl)-2-propylpentoxy]benzoate
CID 65006433
4-(2,2-dimethylpropoxy)benzenecarboperoxoic acid
CID 87112604
methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 104560522
methyl 4-(2-propanoyloxyethoxy)benzoate
CID 59386419
methyl 4-(2-aminopropan-2-yl)benzoate;hydrochloride
CID 75365746
dimethyl benzene-1,4-dicarboxylate;urea
CID 138489958
methyl 4-(3,3,3-trifluoro-2-hydroxypropoxy)benzoate
CID 65019211

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-amino-2-methylpropoxy)benzoate?
The IUPAC name of methyl 4-(2-amino-2-methylpropoxy)benzoate (CID 117053561) is methyl 4-(2-amino-2-methylpropoxy)benzoate.
What is the SMILES notation for methyl 4-(2-amino-2-methylpropoxy)benzoate?
The canonical SMILES for methyl 4-(2-amino-2-methylpropoxy)benzoate is COC(=O)c1ccc(OCC(C)(C)N)cc1.
What is the InChIKey of methyl 4-(2-amino-2-methylpropoxy)benzoate?
The InChIKey is HFMUJQVJYCROND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-12(2,13)8-16-10-6-4-9(5-7-10)11(14)15-3/h4-7H,8,13H2,1-3H3.
What are the key properties of methyl 4-(2-amino-2-methylpropoxy)benzoate?
methyl 4-(2-amino-2-methylpropoxy)benzoate has a molecular weight of 223.27 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-amino-2-methylpropoxy)benzoate is sourced from PubChem (CID 117053561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).