ethyl 2-[(dimethylamino)methyl]benzoate

C12H17NO2 — CID 69236947

IUPACethyl 2-[(dimethylamino)methyl]benzoate
SMILESCCOC(=O)c1ccccc1CN(C)C
InChIInChI=1S/C12H17NO2/c1-4-15-12(14)11-8-6-5-7-10(11)9-13(2)3/h5-8H,4,9H2,1-3H3
InChIKeyBWHLIBWTRZFBBJ-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.92
Rot. Bonds4

About ethyl 2-[(dimethylamino)methyl]benzoate

ethyl 2-[(dimethylamino)methyl]benzoate (PubChem CID 69236947) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is ethyl 2-[(dimethylamino)methyl]benzoate.

Molecular Properties

Compound Nameethyl 2-[(dimethylamino)methyl]benzoate
PubChem CID69236947
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Nameethyl 2-[(dimethylamino)methyl]benzoate
SMILESCCOC(=O)c1ccccc1CN(C)C
InChIInChI=1S/C12H17NO2/c1-4-15-12(14)11-8-6-5-7-10(11)9-13(2)3/h5-8H,4,9H2,1-3H3
InChIKeyBWHLIBWTRZFBBJ-UHFFFAOYSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(dimethylamino)methyl]benzoate?
The IUPAC name of ethyl 2-[(dimethylamino)methyl]benzoate (CID 69236947) is ethyl 2-[(dimethylamino)methyl]benzoate.
What is the SMILES notation for ethyl 2-[(dimethylamino)methyl]benzoate?
The canonical SMILES for ethyl 2-[(dimethylamino)methyl]benzoate is CCOC(=O)c1ccccc1CN(C)C.
What is the InChIKey of ethyl 2-[(dimethylamino)methyl]benzoate?
The InChIKey is BWHLIBWTRZFBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-15-12(14)11-8-6-5-7-10(11)9-13(2)3/h5-8H,4,9H2,1-3H3.
What are the key properties of ethyl 2-[(dimethylamino)methyl]benzoate?
ethyl 2-[(dimethylamino)methyl]benzoate has a molecular weight of 207.27 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(dimethylamino)methyl]benzoate is sourced from PubChem (CID 69236947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).