3-[3,5-bis(3-aminophenoxy)phenoxy]aniline

C24H21N3O3 — CID 19698881

IUPAC3-[3,5-bis(3-aminophenoxy)phenoxy]aniline
SMILESNc1cccc(Oc2cc(Oc3cccc(N)c3)cc(Oc3cccc(N)c3)c2)c1
InChIInChI=1S/C24H21N3O3/c25-16-4-1-7-19(10-16)28-22-13-23(29-20-8-2-5-17(26)11-20)15-24(14-22)30-21-9-3-6-18(27)12-21/h1-15H,25-27H2
InChIKeyJHYZHLNKNMVBSP-UHFFFAOYSA-N
MW399.45 g/mol
LogP5.81
Rot. Bonds6

About 3-[3,5-bis(3-aminophenoxy)phenoxy]aniline

3-[3,5-bis(3-aminophenoxy)phenoxy]aniline (PubChem CID 19698881) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-[3,5-bis(3-aminophenoxy)phenoxy]aniline.

Molecular Properties

Compound Name3-[3,5-bis(3-aminophenoxy)phenoxy]aniline
PubChem CID19698881
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name3-[3,5-bis(3-aminophenoxy)phenoxy]aniline
SMILESNc1cccc(Oc2cc(Oc3cccc(N)c3)cc(Oc3cccc(N)c3)c2)c1
InChIInChI=1S/C24H21N3O3/c25-16-4-1-7-19(10-16)28-22-13-23(29-20-8-2-5-17(26)11-20)15-24(14-22)30-21-9-3-6-18(27)12-21/h1-15H,25-27H2
InChIKeyJHYZHLNKNMVBSP-UHFFFAOYSA-N
XLogP5.81
TPSA105.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338635
3-(3-phenoxyphenoxy)aniline
CID 68727404
3-[4-(4-aminophenoxy)phenoxy]aniline
CID 22184043
3-[2-[4-[3-[2-[3-[4-[2-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338477
3-[2-(3-phenoxyphenoxy)phenoxy]aniline
CID 141038666
3-[2-(3-aminophenoxy)phenoxy]aniline
CID 22184040
3-[3-(3-amino-5-methylphenoxy)phenoxy]-5-methylaniline
CID 19762800
3-[3-[3-[3-[3-(3-aminophenoxy)phenoxy]-2-chlorophenoxy]-2-chlorophenoxy]phenoxy]aniline
CID 22338531
4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine
CID 158070504
3-[4-[2-[2-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338564
3-[4-[4-[2-[2-[4-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338441
3-[4-[3-(3-aminophenoxy)phenyl]phenoxy]aniline
CID 18381163

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(3-aminophenoxy)phenoxy]aniline?
The IUPAC name of 3-[3,5-bis(3-aminophenoxy)phenoxy]aniline (CID 19698881) is 3-[3,5-bis(3-aminophenoxy)phenoxy]aniline.
What is the SMILES notation for 3-[3,5-bis(3-aminophenoxy)phenoxy]aniline?
The canonical SMILES for 3-[3,5-bis(3-aminophenoxy)phenoxy]aniline is Nc1cccc(Oc2cc(Oc3cccc(N)c3)cc(Oc3cccc(N)c3)c2)c1.
What is the InChIKey of 3-[3,5-bis(3-aminophenoxy)phenoxy]aniline?
The InChIKey is JHYZHLNKNMVBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c25-16-4-1-7-19(10-16)28-22-13-23(29-20-8-2-5-17(26)11-20)15-24(14-22)30-21-9-3-6-18(27)12-21/h1-15H,25-27H2.
What are the key properties of 3-[3,5-bis(3-aminophenoxy)phenoxy]aniline?
3-[3,5-bis(3-aminophenoxy)phenoxy]aniline has a molecular weight of 399.45 g/mol, XLogP of 5.81, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(3-aminophenoxy)phenoxy]aniline is sourced from PubChem (CID 19698881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).