2-[ethyl(methyl)amino]-4-methoxybenzoic acid

C11H15NO3 — CID 81304499

IUPAC2-[ethyl(methyl)amino]-4-methoxybenzoic acid
SMILESCCN(C)c1cc(OC)ccc1C(=O)O
InChIInChI=1S/C11H15NO3/c1-4-12(2)10-7-8(15-3)5-6-9(10)11(13)14/h5-7H,4H2,1-3H3,(H,13,14)
InChIKeyFVUXKLMCHJPLMC-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.85
Rot. Bonds4

About 2-[ethyl(methyl)amino]-4-methoxybenzoic acid

2-[ethyl(methyl)amino]-4-methoxybenzoic acid (PubChem CID 81304499) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-[ethyl(methyl)amino]-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-[ethyl(methyl)amino]-4-methoxybenzoic acid
PubChem CID81304499
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-[ethyl(methyl)amino]-4-methoxybenzoic acid
SMILESCCN(C)c1cc(OC)ccc1C(=O)O
InChIInChI=1S/C11H15NO3/c1-4-12(2)10-7-8(15-3)5-6-9(10)11(13)14/h5-7H,4H2,1-3H3,(H,13,14)
InChIKeyFVUXKLMCHJPLMC-UHFFFAOYSA-N
XLogP1.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopentylmethyl(methyl)amino]-4-methoxybenzoic acid
CID 81309673
2-[ethyl(methyl)amino]-4-methylbenzoic acid
CID 62703009
2-(4-fluoro-N-methylanilino)-4-methoxybenzoic acid
CID 81304312
2-[(5-bromothiophen-3-yl)methyl-methylamino]-4-methoxybenzoic acid
CID 81304608
N-ethyl-2,4-dimethoxy-N-methylaniline
CID 115259289
2-[cyclopropylmethyl(propan-2-yl)amino]-4-methoxybenzoic acid
CID 81305400
4-methoxy-2-[pentyl(propan-2-yl)amino]benzoic acid
CID 81305399
2-[2-[ethyl(methyl)amino]ethylamino]-4-methoxybenzoic acid
CID 81304682
2,4-dimethoxybenzoic acid
CID 67450326
2,4-dimethoxybenzoic acid
CID 7052
2-chloro-N-ethyl-4-methoxy-N-methylaniline
CID 115259322
2-(2,2-dimethylhydrazinyl)-4-methoxybenzoic acid
CID 83025083

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)amino]-4-methoxybenzoic acid?
The IUPAC name of 2-[ethyl(methyl)amino]-4-methoxybenzoic acid (CID 81304499) is 2-[ethyl(methyl)amino]-4-methoxybenzoic acid.
What is the SMILES notation for 2-[ethyl(methyl)amino]-4-methoxybenzoic acid?
The canonical SMILES for 2-[ethyl(methyl)amino]-4-methoxybenzoic acid is CCN(C)c1cc(OC)ccc1C(=O)O.
What is the InChIKey of 2-[ethyl(methyl)amino]-4-methoxybenzoic acid?
The InChIKey is FVUXKLMCHJPLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-4-12(2)10-7-8(15-3)5-6-9(10)11(13)14/h5-7H,4H2,1-3H3,(H,13,14).
What are the key properties of 2-[ethyl(methyl)amino]-4-methoxybenzoic acid?
2-[ethyl(methyl)amino]-4-methoxybenzoic acid has a molecular weight of 209.24 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)amino]-4-methoxybenzoic acid is sourced from PubChem (CID 81304499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).