2,6-bis(3-aminophenoxy)benzoic acid

C19H16N2O4 — CID 154115522

IUPAC2,6-bis(3-aminophenoxy)benzoic acid
SMILESNc1cccc(Oc2cccc(Oc3cccc(N)c3)c2C(=O)O)c1
InChIInChI=1S/C19H16N2O4/c20-12-4-1-6-14(10-12)24-16-8-3-9-17(18(16)19(22)23)25-15-7-2-5-13(21)11-15/h1-11H,20-21H2,(H,22,23)
InChIKeyHIMDPSAAXQPUMG-UHFFFAOYSA-N
MW336.35 g/mol
LogP4.13
Rot. Bonds5

About 2,6-bis(3-aminophenoxy)benzoic acid

2,6-bis(3-aminophenoxy)benzoic acid (PubChem CID 154115522) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2,6-bis(3-aminophenoxy)benzoic acid.

Molecular Properties

Compound Name2,6-bis(3-aminophenoxy)benzoic acid
PubChem CID154115522
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name2,6-bis(3-aminophenoxy)benzoic acid
SMILESNc1cccc(Oc2cccc(Oc3cccc(N)c3)c2C(=O)O)c1
InChIInChI=1S/C19H16N2O4/c20-12-4-1-6-14(10-12)24-16-8-3-9-17(18(16)19(22)23)25-15-7-2-5-13(21)11-15/h1-11H,20-21H2,(H,22,23)
InChIKeyHIMDPSAAXQPUMG-UHFFFAOYSA-N
XLogP4.13
TPSA107.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-aminophenoxy)phenoxy]aniline
CID 22184040
3-[2-(3-phenoxyphenoxy)phenoxy]aniline
CID 141038666
3-[4-[2-[2-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338564
3-[2-[4-[3-[2-[3-[4-[2-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338477
3-[4-[4-[2-[2-[4-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338441
3-(3-phenoxyphenoxy)aniline
CID 68727404
3-(3-aminophenoxy)benzoic acid;2,2,2-trifluoroacetic acid
CID 162305453
3-[3,5-bis(3-aminophenoxy)phenoxy]aniline
CID 19698881
3-[4-(3-aminophenoxy)naphthalen-1-yl]oxyaniline
CID 66887751
3-[3-[3-[3-[3-(3-aminophenoxy)phenoxy]-2-chlorophenoxy]-2-chlorophenoxy]phenoxy]aniline
CID 22338531
2-iodo-6-phenoxybenzoic acid
CID 139966933
5-amino-2-(3-methylphenoxy)benzoic acid
CID 54887826

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(3-aminophenoxy)benzoic acid?
The IUPAC name of 2,6-bis(3-aminophenoxy)benzoic acid (CID 154115522) is 2,6-bis(3-aminophenoxy)benzoic acid.
What is the SMILES notation for 2,6-bis(3-aminophenoxy)benzoic acid?
The canonical SMILES for 2,6-bis(3-aminophenoxy)benzoic acid is Nc1cccc(Oc2cccc(Oc3cccc(N)c3)c2C(=O)O)c1.
What is the InChIKey of 2,6-bis(3-aminophenoxy)benzoic acid?
The InChIKey is HIMDPSAAXQPUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c20-12-4-1-6-14(10-12)24-16-8-3-9-17(18(16)19(22)23)25-15-7-2-5-13(21)11-15/h1-11H,20-21H2,(H,22,23).
What are the key properties of 2,6-bis(3-aminophenoxy)benzoic acid?
2,6-bis(3-aminophenoxy)benzoic acid has a molecular weight of 336.35 g/mol, XLogP of 4.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(3-aminophenoxy)benzoic acid is sourced from PubChem (CID 154115522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).