2-[[ethyl(methyl)amino]methyl]benzoic acid

C11H15NO2 — CID 43473290

IUPAC2-[[ethyl(methyl)amino]methyl]benzoic acid
SMILESCCN(C)Cc1ccccc1C(=O)O
InChIInChI=1S/C11H15NO2/c1-3-12(2)8-9-6-4-5-7-10(9)11(13)14/h4-7H,3,8H2,1-2H3,(H,13,14)
InChIKeyBZPBHPLXQLTFRO-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.84
Rot. Bonds4

About 2-[[ethyl(methyl)amino]methyl]benzoic acid

2-[[ethyl(methyl)amino]methyl]benzoic acid (PubChem CID 43473290) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-[[ethyl(methyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[ethyl(methyl)amino]methyl]benzoic acid
PubChem CID43473290
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-[[ethyl(methyl)amino]methyl]benzoic acid
SMILESCCN(C)Cc1ccccc1C(=O)O
InChIInChI=1S/C11H15NO2/c1-3-12(2)8-9-6-4-5-7-10(9)11(13)14/h4-7H,3,8H2,1-2H3,(H,13,14)
InChIKeyBZPBHPLXQLTFRO-UHFFFAOYSA-N
XLogP1.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[methyl(2-phenylethyl)amino]methyl]benzoic acid
CID 65486668
2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]benzoic acid
CID 43473283
2-ethylbenzoic acid;tungsten
CID 23518478
2-[[methyl(pentan-2-yl)amino]methyl]benzoic acid
CID 43572310
2-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]benzoic acid
CID 104548755
2-[[(4-methoxyphenyl)methyl-methylamino]methyl]benzoic acid
CID 61418111
2-[2-(diethylamino)-2-oxoethyl]benzoic acid
CID 115923676
ethane;N-[(2-ethylphenyl)methyl]-N-methylethanamine
CID 143246363
2-[2-[methyl(propyl)amino]ethyl]benzoic acid
CID 104548831
2-[[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]amino]methyl]benzoic acid
CID 77081201
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]benzoic acid
CID 79319788
2-[[methyl-[(1-methylpiperidin-2-yl)methyl]amino]methyl]benzoic acid
CID 77081369

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(methyl)amino]methyl]benzoic acid?
The IUPAC name of 2-[[ethyl(methyl)amino]methyl]benzoic acid (CID 43473290) is 2-[[ethyl(methyl)amino]methyl]benzoic acid.
What is the SMILES notation for 2-[[ethyl(methyl)amino]methyl]benzoic acid?
The canonical SMILES for 2-[[ethyl(methyl)amino]methyl]benzoic acid is CCN(C)Cc1ccccc1C(=O)O.
What is the InChIKey of 2-[[ethyl(methyl)amino]methyl]benzoic acid?
The InChIKey is BZPBHPLXQLTFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-12(2)8-9-6-4-5-7-10(9)11(13)14/h4-7H,3,8H2,1-2H3,(H,13,14).
What are the key properties of 2-[[ethyl(methyl)amino]methyl]benzoic acid?
2-[[ethyl(methyl)amino]methyl]benzoic acid has a molecular weight of 193.25 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(methyl)amino]methyl]benzoic acid is sourced from PubChem (CID 43473290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).