2-amino-4-[2-(methoxymethyl)anilino]benzoic acid

C15H16N2O3 — CID 104500392

IUPAC2-amino-4-[2-(methoxymethyl)anilino]benzoic acid
SMILESCOCc1ccccc1Nc1ccc(C(=O)O)c(N)c1
InChIInChI=1S/C15H16N2O3/c1-20-9-10-4-2-3-5-14(10)17-11-6-7-12(15(18)19)13(16)8-11/h2-8,17H,9,16H2,1H3,(H,18,19)
InChIKeyAOCFWXVCHFTATR-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.86
Rot. Bonds5

About 2-amino-4-[2-(methoxymethyl)anilino]benzoic acid

2-amino-4-[2-(methoxymethyl)anilino]benzoic acid (PubChem CID 104500392) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-amino-4-[2-(methoxymethyl)anilino]benzoic acid.

Molecular Properties

Compound Name2-amino-4-[2-(methoxymethyl)anilino]benzoic acid
PubChem CID104500392
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-amino-4-[2-(methoxymethyl)anilino]benzoic acid
SMILESCOCc1ccccc1Nc1ccc(C(=O)O)c(N)c1
InChIInChI=1S/C15H16N2O3/c1-20-9-10-4-2-3-5-14(10)17-11-6-7-12(15(18)19)13(16)8-11/h2-8,17H,9,16H2,1H3,(H,18,19)
InChIKeyAOCFWXVCHFTATR-UHFFFAOYSA-N
XLogP2.86
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-methoxy-N-[2-(methoxymethyl)phenyl]benzamide
CID 115412626
methyl 4-amino-3-[2-(methoxymethyl)anilino]benzoate
CID 82775744
3-N-[2-(methoxymethyl)phenyl]-5-methylbenzene-1,3-diamine
CID 112647467
4-[2-(methoxymethyl)anilino]-3-methylbenzoic acid
CID 63212427
2-amino-4-(2,6-dimethylanilino)benzoic acid
CID 104500168
2-amino-4-(4-ethoxyanilino)benzoic acid
CID 104500077
ethyl 2-amino-5-(2-ethylanilino)benzoate
CID 63425437
2-amino-3-[2-(2-methoxyethyl)anilino]benzoic acid
CID 102907729
2-amino-4-(isoquinolin-8-ylamino)benzoic acid
CID 104500796
2-amino-4-(2-bromo-5-methylanilino)benzoic acid
CID 113419864
2-amino-4-(benzylamino)benzoic acid
CID 104500082
2-amino-4-(4-bromoanilino)benzoic acid
CID 104500151

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-(methoxymethyl)anilino]benzoic acid?
The IUPAC name of 2-amino-4-[2-(methoxymethyl)anilino]benzoic acid (CID 104500392) is 2-amino-4-[2-(methoxymethyl)anilino]benzoic acid.
What is the SMILES notation for 2-amino-4-[2-(methoxymethyl)anilino]benzoic acid?
The canonical SMILES for 2-amino-4-[2-(methoxymethyl)anilino]benzoic acid is COCc1ccccc1Nc1ccc(C(=O)O)c(N)c1.
What is the InChIKey of 2-amino-4-[2-(methoxymethyl)anilino]benzoic acid?
The InChIKey is AOCFWXVCHFTATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-20-9-10-4-2-3-5-14(10)17-11-6-7-12(15(18)19)13(16)8-11/h2-8,17H,9,16H2,1H3,(H,18,19).
What are the key properties of 2-amino-4-[2-(methoxymethyl)anilino]benzoic acid?
2-amino-4-[2-(methoxymethyl)anilino]benzoic acid has a molecular weight of 272.30 g/mol, XLogP of 2.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-(methoxymethyl)anilino]benzoic acid is sourced from PubChem (CID 104500392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).