2-[[2-(2-methoxyethyl)anilino]methyl]benzoic acid

C17H19NO3 — CID 103268818

IUPAC2-[[2-(2-methoxyethyl)anilino]methyl]benzoic acid
SMILESCOCCc1ccccc1NCc1ccccc1C(=O)O
InChIInChI=1S/C17H19NO3/c1-21-11-10-13-6-3-5-9-16(13)18-12-14-7-2-4-8-15(14)17(19)20/h2-9,18H,10-12H2,1H3,(H,19,20)
InChIKeyGTAANLHKCHJFSX-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.19
Rot. Bonds7

About 2-[[2-(2-methoxyethyl)anilino]methyl]benzoic acid

2-[[2-(2-methoxyethyl)anilino]methyl]benzoic acid (PubChem CID 103268818) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[[2-(2-methoxyethyl)anilino]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[2-(2-methoxyethyl)anilino]methyl]benzoic acid
PubChem CID103268818
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-[[2-(2-methoxyethyl)anilino]methyl]benzoic acid
SMILESCOCCc1ccccc1NCc1ccccc1C(=O)O
InChIInChI=1S/C17H19NO3/c1-21-11-10-13-6-3-5-9-16(13)18-12-14-7-2-4-8-15(14)17(19)20/h2-9,18H,10-12H2,1H3,(H,19,20)
InChIKeyGTAANLHKCHJFSX-UHFFFAOYSA-N
XLogP3.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-propylanilino)methyl]benzoic acid
CID 103246196
4-[[2-(2-methoxyethyl)anilino]methyl]-5-methylfuran-2-carboxylic acid
CID 103268805
2-amino-3-[2-(2-methoxyethyl)anilino]benzoic acid
CID 102907729
2-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid
CID 102905071
3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid
CID 102905114
2-bromo-6-[[2-(2-methoxyethyl)anilino]methyl]phenol
CID 102847681
[5-[[2-(2-methoxyethyl)anilino]methyl]furan-2-yl]methanol
CID 102847721
N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)aniline
CID 102847298
2-[(5-methoxypentylamino)methyl]benzoic acid
CID 114131402
N-[2-[2-(2-methoxyethyl)anilino]ethyl]acetamide
CID 107530128
(E)-4-[2-(2-methoxyethyl)anilino]-3-methylbut-2-enoic acid
CID 103268799
2-[2-(2-methoxyethoxyamino)-2-oxoethyl]benzoic acid
CID 104601734

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxyethyl)anilino]methyl]benzoic acid?
The IUPAC name of 2-[[2-(2-methoxyethyl)anilino]methyl]benzoic acid (CID 103268818) is 2-[[2-(2-methoxyethyl)anilino]methyl]benzoic acid.
What is the SMILES notation for 2-[[2-(2-methoxyethyl)anilino]methyl]benzoic acid?
The canonical SMILES for 2-[[2-(2-methoxyethyl)anilino]methyl]benzoic acid is COCCc1ccccc1NCc1ccccc1C(=O)O.
What is the InChIKey of 2-[[2-(2-methoxyethyl)anilino]methyl]benzoic acid?
The InChIKey is GTAANLHKCHJFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-21-11-10-13-6-3-5-9-16(13)18-12-14-7-2-4-8-15(14)17(19)20/h2-9,18H,10-12H2,1H3,(H,19,20).
What are the key properties of 2-[[2-(2-methoxyethyl)anilino]methyl]benzoic acid?
2-[[2-(2-methoxyethyl)anilino]methyl]benzoic acid has a molecular weight of 285.34 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxyethyl)anilino]methyl]benzoic acid is sourced from PubChem (CID 103268818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).