4-[2-methoxyethyl(methyl)amino]-2-methylbenzoic acid

C12H17NO3 — CID 62135793

IUPAC4-[2-methoxyethyl(methyl)amino]-2-methylbenzoic acid
SMILESCOCCN(C)c1ccc(C(=O)O)c(C)c1
InChIInChI=1S/C12H17NO3/c1-9-8-10(13(2)6-7-16-3)4-5-11(9)12(14)15/h4-5,8H,6-7H2,1-3H3,(H,14,15)
InChIKeyHBRKOJCJCRGKAG-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.78
Rot. Bonds5

About 4-[2-methoxyethyl(methyl)amino]-2-methylbenzoic acid

4-[2-methoxyethyl(methyl)amino]-2-methylbenzoic acid (PubChem CID 62135793) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 4-[2-methoxyethyl(methyl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name4-[2-methoxyethyl(methyl)amino]-2-methylbenzoic acid
PubChem CID62135793
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name4-[2-methoxyethyl(methyl)amino]-2-methylbenzoic acid
SMILESCOCCN(C)c1ccc(C(=O)O)c(C)c1
InChIInChI=1S/C12H17NO3/c1-9-8-10(13(2)6-7-16-3)4-5-11(9)12(14)15/h4-5,8H,6-7H2,1-3H3,(H,14,15)
InChIKeyHBRKOJCJCRGKAG-UHFFFAOYSA-N
XLogP1.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]benzoic acid
CID 81056950
4-[(2-hydroxy-3-methoxypropyl)-methylamino]-2-methylbenzoic acid
CID 113400011
2-methyl-4-[methyl(2-methylsulfonylethyl)amino]benzoic acid
CID 79850557
2-methyl-4-(N-methylanilino)benzoic acid
CID 62136290
2-chloro-4-[3-methoxypropyl(methyl)amino]benzoic acid
CID 63008083
4-[2,2-dimethylpropyl(methyl)amino]-2-methylbenzoic acid
CID 55038670
4-[3-methoxypropyl(methyl)amino]-2-methylbenzenecarboximidamide
CID 81279372
4-[2-methoxyethyl(methyl)amino]-2-methyl-5-nitrobenzoic acid
CID 151745509
4-(3,5-dicyclopropyl-N-methylanilino)-2-methylbenzoic acid
CID 156776205
2-methyl-4-[methyl-[2-oxo-2-(propylamino)ethyl]amino]benzoic acid
CID 62135454
4-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-methylbenzoic acid
CID 62136632
2-[bis(2-methoxyethyl)amino]-4-methylbenzoic acid
CID 62701013

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxyethyl(methyl)amino]-2-methylbenzoic acid?
The IUPAC name of 4-[2-methoxyethyl(methyl)amino]-2-methylbenzoic acid (CID 62135793) is 4-[2-methoxyethyl(methyl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 4-[2-methoxyethyl(methyl)amino]-2-methylbenzoic acid?
The canonical SMILES for 4-[2-methoxyethyl(methyl)amino]-2-methylbenzoic acid is COCCN(C)c1ccc(C(=O)O)c(C)c1.
What is the InChIKey of 4-[2-methoxyethyl(methyl)amino]-2-methylbenzoic acid?
The InChIKey is HBRKOJCJCRGKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9-8-10(13(2)6-7-16-3)4-5-11(9)12(14)15/h4-5,8H,6-7H2,1-3H3,(H,14,15).
What are the key properties of 4-[2-methoxyethyl(methyl)amino]-2-methylbenzoic acid?
4-[2-methoxyethyl(methyl)amino]-2-methylbenzoic acid has a molecular weight of 223.27 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxyethyl(methyl)amino]-2-methylbenzoic acid is sourced from PubChem (CID 62135793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).