2-methylpropyl 2-(methylamino)benzoate

C12H17NO2 — CID 522171

IUPAC2-methylpropyl 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OCC(C)C
InChIInChI=1S/C12H17NO2/c1-9(2)8-15-12(14)10-6-4-5-7-11(10)13-3/h4-7,9,13H,8H2,1-3H3
InChIKeyWKYZGTHZBSYUFI-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.54
Rot. Bonds4

About 2-methylpropyl 2-(methylamino)benzoate

2-methylpropyl 2-(methylamino)benzoate (PubChem CID 522171) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-methylpropyl 2-(methylamino)benzoate.

Molecular Properties

Compound Name2-methylpropyl 2-(methylamino)benzoate
PubChem CID522171
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-methylpropyl 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OCC(C)C
InChIInChI=1S/C12H17NO2/c1-9(2)8-15-12(14)10-6-4-5-7-11(10)13-3/h4-7,9,13H,8H2,1-3H3
InChIKeyWKYZGTHZBSYUFI-UHFFFAOYSA-N
XLogP2.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-(methylamino)benzoate?
The IUPAC name of 2-methylpropyl 2-(methylamino)benzoate (CID 522171) is 2-methylpropyl 2-(methylamino)benzoate.
What is the SMILES notation for 2-methylpropyl 2-(methylamino)benzoate?
The canonical SMILES for 2-methylpropyl 2-(methylamino)benzoate is CNc1ccccc1C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-(methylamino)benzoate?
The InChIKey is WKYZGTHZBSYUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(2)8-15-12(14)10-6-4-5-7-11(10)13-3/h4-7,9,13H,8H2,1-3H3.
What are the key properties of 2-methylpropyl 2-(methylamino)benzoate?
2-methylpropyl 2-(methylamino)benzoate has a molecular weight of 207.27 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-(methylamino)benzoate is sourced from PubChem (CID 522171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).