4-[1-(4-aminophenoxy)-4-phenylcyclohexa-2,4-dien-1-yl]oxyaniline

C24H22N2O2 — CID 66911320

IUPAC4-[1-(4-aminophenoxy)-4-phenylcyclohexa-2,4-dien-1-yl]oxyaniline
SMILESNc1ccc(OC2(Oc3ccc(N)cc3)C=CC(c3ccccc3)=CC2)cc1
InChIInChI=1S/C24H22N2O2/c25-20-6-10-22(11-7-20)27-24(28-23-12-8-21(26)9-13-23)16-14-19(15-17-24)18-4-2-1-3-5-18/h1-16H,17,25-26H2
InChIKeyHHPGHFMVYWBJQW-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.05
Rot. Bonds5

About 4-[1-(4-aminophenoxy)-4-phenylcyclohexa-2,4-dien-1-yl]oxyaniline

4-[1-(4-aminophenoxy)-4-phenylcyclohexa-2,4-dien-1-yl]oxyaniline (PubChem CID 66911320) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-[1-(4-aminophenoxy)-4-phenylcyclohexa-2,4-dien-1-yl]oxyaniline.

Molecular Properties

Compound Name4-[1-(4-aminophenoxy)-4-phenylcyclohexa-2,4-dien-1-yl]oxyaniline
PubChem CID66911320
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name4-[1-(4-aminophenoxy)-4-phenylcyclohexa-2,4-dien-1-yl]oxyaniline
SMILESNc1ccc(OC2(Oc3ccc(N)cc3)C=CC(c3ccccc3)=CC2)cc1
InChIInChI=1S/C24H22N2O2/c25-20-6-10-22(11-7-20)27-24(28-23-12-8-21(26)9-13-23)16-14-19(15-17-24)18-4-2-1-3-5-18/h1-16H,17,25-26H2
InChIKeyHHPGHFMVYWBJQW-UHFFFAOYSA-N
XLogP5.05
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.05
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(4-amino-4-phenoxycyclohexa-1,5-dien-1-yl)aniline
CID 152565245
4-[1-(3,4-dicyanophenoxy)-4-phenylcyclohexa-2,4-dien-1-yl]oxybenzene-1,2-dicarbonitrile
CID 139267554
4-[1-(4-aminophenyl)-4-phenylcyclohexa-2,4-dien-1-yl]aniline
CID 70010989
4-[(4R)-4-amino-4-phenylcyclohexa-1,5-dien-1-yl]aniline
CID 97303996
4-[1-(4-aminophenoxy)-6,6-ditert-butyl-4-phenylcyclohexa-2,4-dien-1-yl]oxyaniline
CID 19025154
4-(4-amino-4-fluorocyclohexa-1,5-dien-1-yl)aniline
CID 152526557
4-(4-amino-4-fluorocyclohexa-1,5-dien-1-yl)aniline;hydrochloride
CID 172857422
[1-(hydroxymethyl)-4-phenylcyclohexa-2,4-dien-1-yl]methanol
CID 68743501
CID 172735714
CID 172735714
1-amino-4-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 56924481
1-methyl-4-phenylcyclohexa-2,4-dien-1-ol
CID 70019499
4-[4-amino-4-(azetidin-3-yl)cyclohexa-1,5-dien-1-yl]aniline
CID 162087611

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-aminophenoxy)-4-phenylcyclohexa-2,4-dien-1-yl]oxyaniline?
The IUPAC name of 4-[1-(4-aminophenoxy)-4-phenylcyclohexa-2,4-dien-1-yl]oxyaniline (CID 66911320) is 4-[1-(4-aminophenoxy)-4-phenylcyclohexa-2,4-dien-1-yl]oxyaniline.
What is the SMILES notation for 4-[1-(4-aminophenoxy)-4-phenylcyclohexa-2,4-dien-1-yl]oxyaniline?
The canonical SMILES for 4-[1-(4-aminophenoxy)-4-phenylcyclohexa-2,4-dien-1-yl]oxyaniline is Nc1ccc(OC2(Oc3ccc(N)cc3)C=CC(c3ccccc3)=CC2)cc1.
What is the InChIKey of 4-[1-(4-aminophenoxy)-4-phenylcyclohexa-2,4-dien-1-yl]oxyaniline?
The InChIKey is HHPGHFMVYWBJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c25-20-6-10-22(11-7-20)27-24(28-23-12-8-21(26)9-13-23)16-14-19(15-17-24)18-4-2-1-3-5-18/h1-16H,17,25-26H2.
What are the key properties of 4-[1-(4-aminophenoxy)-4-phenylcyclohexa-2,4-dien-1-yl]oxyaniline?
4-[1-(4-aminophenoxy)-4-phenylcyclohexa-2,4-dien-1-yl]oxyaniline has a molecular weight of 370.45 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-aminophenoxy)-4-phenylcyclohexa-2,4-dien-1-yl]oxyaniline is sourced from PubChem (CID 66911320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).