3-[2-[2-[2-(4-aminophenoxy)phenyl]ethyl]phenoxy]aniline

C26H24N2O2 — CID 67120556

IUPAC3-[2-[2-[2-(4-aminophenoxy)phenyl]ethyl]phenoxy]aniline
SMILESNc1ccc(Oc2ccccc2CCc2ccccc2Oc2cccc(N)c2)cc1
InChIInChI=1S/C26H24N2O2/c27-21-14-16-23(17-15-21)29-25-10-3-1-6-19(25)12-13-20-7-2-4-11-26(20)30-24-9-5-8-22(28)18-24/h1-11,14-18H,12-13,27-28H2
InChIKeyRVRUBDOXNPHKSB-UHFFFAOYSA-N
MW396.49 g/mol
LogP6.22
Rot. Bonds7

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

3-[2-[2-[2-(4-aminophenoxy)phenyl]ethyl]phenoxy]aniline (PubChem CID 67120556) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 3-[2-[2-[2-(4-aminophenoxy)phenyl]ethyl]phenoxy]aniline.

Molecular Properties

Compound Name3-[2-[2-[2-(4-aminophenoxy)phenyl]ethyl]phenoxy]aniline
PubChem CID67120556
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name3-[2-[2-[2-(4-aminophenoxy)phenyl]ethyl]phenoxy]aniline
SMILESNc1ccc(Oc2ccccc2CCc2ccccc2Oc2cccc(N)c2)cc1
InChIInChI=1S/C26H24N2O2/c27-21-14-16-23(17-15-21)29-25-10-3-1-6-19(25)12-13-20-7-2-4-11-26(20)30-24-9-5-8-22(28)18-24/h1-11,14-18H,12-13,27-28H2
InChIKeyRVRUBDOXNPHKSB-UHFFFAOYSA-N
XLogP6.22
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[2-[2-[2-(4-aminophenoxy)phenyl]propyl]phenoxy]aniline
CID 175411633
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-[4-(4-aminophenoxy)phenoxy]aniline
CID 22184043
3-[2-(3-aminophenoxy)phenoxy]aniline
CID 22184040
3-[3-(4-aminophenoxy)-2-iodophenoxy]aniline
CID 118976058
3-[2-(3-phenoxyphenoxy)phenoxy]aniline
CID 141038666
3-[4-[[2-[[4-(3-aminophenoxy)phenyl]methyl]phenyl]methyl]phenoxy]aniline
CID 141141650
3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338635
4-[2-(4-aminophenoxy)phenoxy]aniline
CID 15373719
2-[2-(3-iodophenoxy)phenyl]ethanamine
CID 63803655

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-(4-aminophenoxy)phenyl]ethyl]phenoxy]aniline?
The IUPAC name of 3-[2-[2-[2-(4-aminophenoxy)phenyl]ethyl]phenoxy]aniline (CID 67120556) is 3-[2-[2-[2-(4-aminophenoxy)phenyl]ethyl]phenoxy]aniline.
What is the SMILES notation for 3-[2-[2-[2-(4-aminophenoxy)phenyl]ethyl]phenoxy]aniline?
The canonical SMILES for 3-[2-[2-[2-(4-aminophenoxy)phenyl]ethyl]phenoxy]aniline is Nc1ccc(Oc2ccccc2CCc2ccccc2Oc2cccc(N)c2)cc1.
What is the InChIKey of 3-[2-[2-[2-(4-aminophenoxy)phenyl]ethyl]phenoxy]aniline?
The InChIKey is RVRUBDOXNPHKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c27-21-14-16-23(17-15-21)29-25-10-3-1-6-19(25)12-13-20-7-2-4-11-26(20)30-24-9-5-8-22(28)18-24/h1-11,14-18H,12-13,27-28H2.
What are the key properties of 3-[2-[2-[2-(4-aminophenoxy)phenyl]ethyl]phenoxy]aniline?
3-[2-[2-[2-(4-aminophenoxy)phenyl]ethyl]phenoxy]aniline has a molecular weight of 396.49 g/mol, XLogP of 6.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-(4-aminophenoxy)phenyl]ethyl]phenoxy]aniline is sourced from PubChem (CID 67120556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).