methyl 2-[(dimethylamino)methyl]-6-methoxybenzoate

C12H17NO3 — CID 23258118

IUPACmethyl 2-[(dimethylamino)methyl]-6-methoxybenzoate
SMILESCOC(=O)c1c(CN(C)C)cccc1OC
InChIInChI=1S/C12H17NO3/c1-13(2)8-9-6-5-7-10(15-3)11(9)12(14)16-4/h5-7H,8H2,1-4H3
InChIKeyVSFTZOYROFAPBO-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.54
Rot. Bonds4

About methyl 2-[(dimethylamino)methyl]-6-methoxybenzoate

methyl 2-[(dimethylamino)methyl]-6-methoxybenzoate (PubChem CID 23258118) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is methyl 2-[(dimethylamino)methyl]-6-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[(dimethylamino)methyl]-6-methoxybenzoate
PubChem CID23258118
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namemethyl 2-[(dimethylamino)methyl]-6-methoxybenzoate
SMILESCOC(=O)c1c(CN(C)C)cccc1OC
InChIInChI=1S/C12H17NO3/c1-13(2)8-9-6-5-7-10(15-3)11(9)12(14)16-4/h5-7H,8H2,1-4H3
InChIKeyVSFTZOYROFAPBO-UHFFFAOYSA-N
XLogP1.54
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-chlorophenyl)methoxymethyl]-6-methoxybenzoate
CID 46735306
methyl 2-methoxy-6-(12-methoxy-12-oxododecyl)benzoate
CID 595445
8-(3-methoxy-2-methoxycarbonylphenyl)octanoic acid
CID 133052556
methyl 2-iodo-6-methoxybenzoate
CID 91882308
methyl 2-[3-(4-chlorophenyl)propyl]-6-methoxybenzoate
CID 46735303
methyl 2-methoxy-6-methoxycarbonyloxybenzoate
CID 174850482
methyl 4-[(2-methoxyphenyl)methyl-methylsulfamoyl]benzoate
CID 26528290
methyl 2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoate
CID 104824299
methyl 2-amino-6-[[cycloheptyl(methyl)amino]methyl]benzoate
CID 104824398
methyl 2-(2,6-dimethoxybenzoyl)benzoate
CID 71397959
methyl 2-formyl-6-methoxybenzoate
CID 12730360
2,6-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103748911

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(dimethylamino)methyl]-6-methoxybenzoate?
The IUPAC name of methyl 2-[(dimethylamino)methyl]-6-methoxybenzoate (CID 23258118) is methyl 2-[(dimethylamino)methyl]-6-methoxybenzoate.
What is the SMILES notation for methyl 2-[(dimethylamino)methyl]-6-methoxybenzoate?
The canonical SMILES for methyl 2-[(dimethylamino)methyl]-6-methoxybenzoate is COC(=O)c1c(CN(C)C)cccc1OC.
What is the InChIKey of methyl 2-[(dimethylamino)methyl]-6-methoxybenzoate?
The InChIKey is VSFTZOYROFAPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-13(2)8-9-6-5-7-10(15-3)11(9)12(14)16-4/h5-7H,8H2,1-4H3.
What are the key properties of methyl 2-[(dimethylamino)methyl]-6-methoxybenzoate?
methyl 2-[(dimethylamino)methyl]-6-methoxybenzoate has a molecular weight of 223.27 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(dimethylamino)methyl]-6-methoxybenzoate is sourced from PubChem (CID 23258118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).