2-amino-5-(2,6-diethylanilino)benzoic acid

C17H20N2O2 — CID 60989372

IUPAC2-amino-5-(2,6-diethylanilino)benzoic acid
SMILESCCc1cccc(CC)c1Nc1ccc(N)c(C(=O)O)c1
InChIInChI=1S/C17H20N2O2/c1-3-11-6-5-7-12(4-2)16(11)19-13-8-9-15(18)14(10-13)17(20)21/h5-10,19H,3-4,18H2,1-2H3,(H,20,21)
InChIKeyJEWKWOMTXDGOPO-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.84
Rot. Bonds5

About 2-amino-5-(2,6-diethylanilino)benzoic acid

2-amino-5-(2,6-diethylanilino)benzoic acid (PubChem CID 60989372) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-amino-5-(2,6-diethylanilino)benzoic acid.

Molecular Properties

Compound Name2-amino-5-(2,6-diethylanilino)benzoic acid
PubChem CID60989372
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-amino-5-(2,6-diethylanilino)benzoic acid
SMILESCCc1cccc(CC)c1Nc1ccc(N)c(C(=O)O)c1
InChIInChI=1S/C17H20N2O2/c1-3-11-6-5-7-12(4-2)16(11)19-13-8-9-15(18)14(10-13)17(20)21/h5-10,19H,3-4,18H2,1-2H3,(H,20,21)
InChIKeyJEWKWOMTXDGOPO-UHFFFAOYSA-N
XLogP3.84
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-(2,4,6-trimethylanilino)benzoic acid
CID 60988908
4-N-(2,6-diethylphenyl)benzene-1,4-diamine
CID 82292813
2-amino-4-(2,6-dimethylanilino)benzoic acid
CID 104500168
2,6-diethyl-N-phenylaniline
CID 45095580
ethyl 2-amino-5-(2-ethylanilino)benzoate
CID 63425437
2-amino-5-(4-bromoanilino)benzoic acid
CID 54887896
2-amino-5-(4-iodoanilino)benzoic acid
CID 60988591
2-amino-5-(4-fluoroanilino)benzoic acid
CID 54887987
2-amino-5-(4-bromo-3-methylanilino)benzoic acid
CID 60990156
2-amino-5-[(2-bromophenyl)methylamino]benzoic acid
CID 61413975
2-amino-5-(2,3-dichloroanilino)benzoic acid
CID 54888225
2,6-diethyl-N-(3-ethylphenyl)aniline
CID 139833761

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2,6-diethylanilino)benzoic acid?
The IUPAC name of 2-amino-5-(2,6-diethylanilino)benzoic acid (CID 60989372) is 2-amino-5-(2,6-diethylanilino)benzoic acid.
What is the SMILES notation for 2-amino-5-(2,6-diethylanilino)benzoic acid?
The canonical SMILES for 2-amino-5-(2,6-diethylanilino)benzoic acid is CCc1cccc(CC)c1Nc1ccc(N)c(C(=O)O)c1.
What is the InChIKey of 2-amino-5-(2,6-diethylanilino)benzoic acid?
The InChIKey is JEWKWOMTXDGOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-11-6-5-7-12(4-2)16(11)19-13-8-9-15(18)14(10-13)17(20)21/h5-10,19H,3-4,18H2,1-2H3,(H,20,21).
What are the key properties of 2-amino-5-(2,6-diethylanilino)benzoic acid?
2-amino-5-(2,6-diethylanilino)benzoic acid has a molecular weight of 284.36 g/mol, XLogP of 3.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2,6-diethylanilino)benzoic acid is sourced from PubChem (CID 60989372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).