4-[4-[4-[2-(4-aminophenoxy)ethoxy]phenyl]phenyl]aniline

C26H24N2O2 — CID 145159211

IUPAC4-[4-[4-[2-(4-aminophenoxy)ethoxy]phenyl]phenyl]aniline
SMILESNc1ccc(OCCOc2ccc(-c3ccc(-c4ccc(N)cc4)cc3)cc2)cc1
InChIInChI=1S/C26H24N2O2/c27-23-9-5-21(6-10-23)19-1-3-20(4-2-19)22-7-13-25(14-8-22)29-17-18-30-26-15-11-24(28)12-16-26/h1-16H,17-18,27-28H2
InChIKeyBLEZLOGWFFWZDZ-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.64
Rot. Bonds7

About 4-[4-[4-[2-(4-aminophenoxy)ethoxy]phenyl]phenyl]aniline

4-[4-[4-[2-(4-aminophenoxy)ethoxy]phenyl]phenyl]aniline (PubChem CID 145159211) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-[4-[4-[2-(4-aminophenoxy)ethoxy]phenyl]phenyl]aniline.

Molecular Properties

Compound Name4-[4-[4-[2-(4-aminophenoxy)ethoxy]phenyl]phenyl]aniline
PubChem CID145159211
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name4-[4-[4-[2-(4-aminophenoxy)ethoxy]phenyl]phenyl]aniline
SMILESNc1ccc(OCCOc2ccc(-c3ccc(-c4ccc(N)cc4)cc3)cc2)cc1
InChIInChI=1S/C26H24N2O2/c27-23-9-5-21(6-10-23)19-1-3-20(4-2-19)22-7-13-25(14-8-22)29-17-18-30-26-15-11-24(28)12-16-26/h1-16H,17-18,27-28H2
InChIKeyBLEZLOGWFFWZDZ-UHFFFAOYSA-N
XLogP5.64
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 ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane
CID 67942387
4-[5-(4-phenylphenoxy)pentoxy]aniline
CID 24833731
4-[19-(4-aminophenoxy)nonadecoxy]aniline
CID 139902778
4-(2-ethoxyethoxy)aniline
CID 16641299
4-[2-(4-methylsulfanylphenoxy)ethoxy]aniline
CID 63648995
4-[3-(4-aminophenoxy)propyl]aniline
CID 146744980
4-[(E)-2-[4-[2-[2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]aniline
CID 154936794
4-[2-(4-aminophenoxy)ethoxy]benzoic acid
CID 82147710
4-[2-(2,6-dibromophenoxy)ethoxy]aniline
CID 43366084
4-[2-(2,2,2-trifluoroethoxy)ethoxy]aniline
CID 43365871
7-[4-(4-aminophenyl)phenoxy]-N-hydroxyheptanamide
CID 89208200
4-(2-pentoxyethoxy)aniline
CID 43274923

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[2-(4-aminophenoxy)ethoxy]phenyl]phenyl]aniline?
The IUPAC name of 4-[4-[4-[2-(4-aminophenoxy)ethoxy]phenyl]phenyl]aniline (CID 145159211) is 4-[4-[4-[2-(4-aminophenoxy)ethoxy]phenyl]phenyl]aniline.
What is the SMILES notation for 4-[4-[4-[2-(4-aminophenoxy)ethoxy]phenyl]phenyl]aniline?
The canonical SMILES for 4-[4-[4-[2-(4-aminophenoxy)ethoxy]phenyl]phenyl]aniline is Nc1ccc(OCCOc2ccc(-c3ccc(-c4ccc(N)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[4-[2-(4-aminophenoxy)ethoxy]phenyl]phenyl]aniline?
The InChIKey is BLEZLOGWFFWZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c27-23-9-5-21(6-10-23)19-1-3-20(4-2-19)22-7-13-25(14-8-22)29-17-18-30-26-15-11-24(28)12-16-26/h1-16H,17-18,27-28H2.
What are the key properties of 4-[4-[4-[2-(4-aminophenoxy)ethoxy]phenyl]phenyl]aniline?
4-[4-[4-[2-(4-aminophenoxy)ethoxy]phenyl]phenyl]aniline has a molecular weight of 396.49 g/mol, XLogP of 5.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[2-(4-aminophenoxy)ethoxy]phenyl]phenyl]aniline is sourced from PubChem (CID 145159211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).