4-[4-amino-3-(3-aminophenoxy)phenyl]-2-(3-aminophenoxy)aniline

C24H22N4O2 — CID 102200409

IUPAC4-[4-amino-3-(3-aminophenoxy)phenyl]-2-(3-aminophenoxy)aniline
SMILESNc1cccc(Oc2cc(-c3ccc(N)c(Oc4cccc(N)c4)c3)ccc2N)c1
InChIInChI=1S/C24H22N4O2/c25-17-3-1-5-19(13-17)29-23-11-15(7-9-21(23)27)16-8-10-22(28)24(12-16)30-20-6-2-4-18(26)14-20/h1-14H,25-28H2
InChIKeyNAWNVTQTPORGHV-UHFFFAOYSA-N
MW398.47 g/mol
LogP5.27
Rot. Bonds5

About 4-[4-amino-3-(3-aminophenoxy)phenyl]-2-(3-aminophenoxy)aniline

4-[4-amino-3-(3-aminophenoxy)phenyl]-2-(3-aminophenoxy)aniline (PubChem CID 102200409) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 4-[4-amino-3-(3-aminophenoxy)phenyl]-2-(3-aminophenoxy)aniline.

Molecular Properties

Compound Name4-[4-amino-3-(3-aminophenoxy)phenyl]-2-(3-aminophenoxy)aniline
PubChem CID102200409
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name4-[4-amino-3-(3-aminophenoxy)phenyl]-2-(3-aminophenoxy)aniline
SMILESNc1cccc(Oc2cc(-c3ccc(N)c(Oc4cccc(N)c4)c3)ccc2N)c1
InChIInChI=1S/C24H22N4O2/c25-17-3-1-5-19(13-17)29-23-11-15(7-9-21(23)27)16-8-10-22(28)24(12-16)30-20-6-2-4-18(26)14-20/h1-14H,25-28H2
InChIKeyNAWNVTQTPORGHV-UHFFFAOYSA-N
XLogP5.27
TPSA122.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 55.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2,5-bis(4-aminophenyl)phenoxy]aniline
CID 161035484
3-[2-(3-aminophenoxy)phenoxy]aniline
CID 22184040
3-[4-[3-(3-aminophenoxy)phenyl]phenoxy]aniline
CID 18381163
3-[3,5-bis(3-aminophenoxy)phenoxy]aniline
CID 19698881
3-[4-(3-aminophenoxy)naphthalen-1-yl]oxyaniline
CID 66887751
3-[4-[4-[2-[2-[4-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338441
3-[2-[4-[3-[2-[3-[4-[2-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338477
3-[4-[2-[2-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338564
3-[2-(3-phenoxyphenoxy)phenoxy]aniline
CID 141038666
3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338635
4-methyl-2-(3-methylphenoxy)aniline
CID 26189584
3-[4-(4-aminophenoxy)phenoxy]aniline
CID 22184043

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-3-(3-aminophenoxy)phenyl]-2-(3-aminophenoxy)aniline?
The IUPAC name of 4-[4-amino-3-(3-aminophenoxy)phenyl]-2-(3-aminophenoxy)aniline (CID 102200409) is 4-[4-amino-3-(3-aminophenoxy)phenyl]-2-(3-aminophenoxy)aniline.
What is the SMILES notation for 4-[4-amino-3-(3-aminophenoxy)phenyl]-2-(3-aminophenoxy)aniline?
The canonical SMILES for 4-[4-amino-3-(3-aminophenoxy)phenyl]-2-(3-aminophenoxy)aniline is Nc1cccc(Oc2cc(-c3ccc(N)c(Oc4cccc(N)c4)c3)ccc2N)c1.
What is the InChIKey of 4-[4-amino-3-(3-aminophenoxy)phenyl]-2-(3-aminophenoxy)aniline?
The InChIKey is NAWNVTQTPORGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c25-17-3-1-5-19(13-17)29-23-11-15(7-9-21(23)27)16-8-10-22(28)24(12-16)30-20-6-2-4-18(26)14-20/h1-14H,25-28H2.
What are the key properties of 4-[4-amino-3-(3-aminophenoxy)phenyl]-2-(3-aminophenoxy)aniline?
4-[4-amino-3-(3-aminophenoxy)phenyl]-2-(3-aminophenoxy)aniline has a molecular weight of 398.47 g/mol, XLogP of 5.27, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-3-(3-aminophenoxy)phenyl]-2-(3-aminophenoxy)aniline is sourced from PubChem (CID 102200409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).