methyl 2-[(dimethylamino)methyl]benzoate

C11H15NO2 — CID 74890580

IUPACmethyl 2-[(dimethylamino)methyl]benzoate
SMILESCOC(=O)c1ccccc1CN(C)C
InChIInChI=1S/C11H15NO2/c1-12(2)8-9-6-4-5-7-10(9)11(13)14-3/h4-7H,8H2,1-3H3
InChIKeyCSESFGWHSGKBDU-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.53
Rot. Bonds3

About methyl 2-[(dimethylamino)methyl]benzoate

methyl 2-[(dimethylamino)methyl]benzoate (PubChem CID 74890580) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl 2-[(dimethylamino)methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(dimethylamino)methyl]benzoate
PubChem CID74890580
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl 2-[(dimethylamino)methyl]benzoate
SMILESCOC(=O)c1ccccc1CN(C)C
InChIInChI=1S/C11H15NO2/c1-12(2)8-9-6-4-5-7-10(9)11(13)14-3/h4-7H,8H2,1-3H3
InChIKeyCSESFGWHSGKBDU-UHFFFAOYSA-N
XLogP1.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(dimethylamino)methyl]benzoate?
The IUPAC name of methyl 2-[(dimethylamino)methyl]benzoate (CID 74890580) is methyl 2-[(dimethylamino)methyl]benzoate.
What is the SMILES notation for methyl 2-[(dimethylamino)methyl]benzoate?
The canonical SMILES for methyl 2-[(dimethylamino)methyl]benzoate is COC(=O)c1ccccc1CN(C)C.
What is the InChIKey of methyl 2-[(dimethylamino)methyl]benzoate?
The InChIKey is CSESFGWHSGKBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-12(2)8-9-6-4-5-7-10(9)11(13)14-3/h4-7H,8H2,1-3H3.
What are the key properties of methyl 2-[(dimethylamino)methyl]benzoate?
methyl 2-[(dimethylamino)methyl]benzoate has a molecular weight of 193.25 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(dimethylamino)methyl]benzoate is sourced from PubChem (CID 74890580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).