4-[4-[2-[4-(4-aminophenoxy)-2-methylphenyl]prop-1-enyl]phenoxy]aniline

C28H26N2O2 — CID 67808064

IUPAC4-[4-[2-[4-(4-aminophenoxy)-2-methylphenyl]prop-1-enyl]phenoxy]aniline
SMILESCC(=Cc1ccc(Oc2ccc(N)cc2)cc1)c1ccc(Oc2ccc(N)cc2)cc1C
InChIInChI=1S/C28H26N2O2/c1-19(17-21-3-9-24(10-4-21)31-25-11-5-22(29)6-12-25)28-16-15-27(18-20(28)2)32-26-13-7-23(30)8-14-26/h3-18H,29-30H2,1-2H3
InChIKeyAMTKWQMCGSHSDK-UHFFFAOYSA-N
MW422.53 g/mol
LogP7.30
Rot. Bonds6

About 4-[4-[2-[4-(4-aminophenoxy)-2-methylphenyl]prop-1-enyl]phenoxy]aniline

4-[4-[2-[4-(4-aminophenoxy)-2-methylphenyl]prop-1-enyl]phenoxy]aniline (PubChem CID 67808064) has the molecular formula C28H26N2O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 4-[4-[2-[4-(4-aminophenoxy)-2-methylphenyl]prop-1-enyl]phenoxy]aniline.

Molecular Properties

Compound Name4-[4-[2-[4-(4-aminophenoxy)-2-methylphenyl]prop-1-enyl]phenoxy]aniline
PubChem CID67808064
Molecular FormulaC28H26N2O2
Molecular Weight422.53 g/mol
Exact Mass422.20
IUPAC Name4-[4-[2-[4-(4-aminophenoxy)-2-methylphenyl]prop-1-enyl]phenoxy]aniline
SMILESCC(=Cc1ccc(Oc2ccc(N)cc2)cc1)c1ccc(Oc2ccc(N)cc2)cc1C
InChIInChI=1S/C28H26N2O2/c1-19(17-21-3-9-24(10-4-21)31-25-11-5-22(29)6-12-25)28-16-15-27(18-20(28)2)32-26-13-7-23(30)8-14-26/h3-18H,29-30H2,1-2H3
InChIKeyAMTKWQMCGSHSDK-UHFFFAOYSA-N
XLogP7.30
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 57.30
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': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-(4-bromophenoxy)-2-methyl-1-prop-1-en-2-ylbenzene
CID 134396698
4-[4-[(Z)-1-(3,5-dimethylphenyl)prop-1-en-2-yl]phenoxy]benzaldehyde
CID 59099684
4-(4-aminophenoxy)aniline
CID 161415647
4-[6-(4-aminophenoxy)naphthalen-2-yl]oxyaniline
CID 21253702
[4-[4-(4-aminophenoxy)phenoxy]phenyl]-(4-aminophenyl)methanone
CID 58298849
4-[3-(4-aminophenoxy)-5-methylphenoxy]aniline
CID 59187914
1-[4-[(5-amino-2-pyridinyl)oxy]-2-methylphenyl]ethanone
CID 18673901
4-[3-[4-(4-methylphenoxy)phenoxy]phenoxy]aniline
CID 174332616
4-[3-[4-[3-(4-methylphenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 174332614
4-[3-(4-aminophenoxy)phenoxy]aniline;benzene-1,4-diamine
CID 158070504
3,5-dichloroaniline;2-methyl-4-phenoxybenzamide
CID 174930679
[5-(4-aminophenoxy)-2-[4-(4-aminophenoxy)-2-(4-methoxybenzoyl)phenyl]phenyl]-(4-methoxyphenyl)methanone
CID 154631055

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[4-(4-aminophenoxy)-2-methylphenyl]prop-1-enyl]phenoxy]aniline?
The IUPAC name of 4-[4-[2-[4-(4-aminophenoxy)-2-methylphenyl]prop-1-enyl]phenoxy]aniline (CID 67808064) is 4-[4-[2-[4-(4-aminophenoxy)-2-methylphenyl]prop-1-enyl]phenoxy]aniline.
What is the SMILES notation for 4-[4-[2-[4-(4-aminophenoxy)-2-methylphenyl]prop-1-enyl]phenoxy]aniline?
The canonical SMILES for 4-[4-[2-[4-(4-aminophenoxy)-2-methylphenyl]prop-1-enyl]phenoxy]aniline is CC(=Cc1ccc(Oc2ccc(N)cc2)cc1)c1ccc(Oc2ccc(N)cc2)cc1C.
What is the InChIKey of 4-[4-[2-[4-(4-aminophenoxy)-2-methylphenyl]prop-1-enyl]phenoxy]aniline?
The InChIKey is AMTKWQMCGSHSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O2/c1-19(17-21-3-9-24(10-4-21)31-25-11-5-22(29)6-12-25)28-16-15-27(18-20(28)2)32-26-13-7-23(30)8-14-26/h3-18H,29-30H2,1-2H3.
What are the key properties of 4-[4-[2-[4-(4-aminophenoxy)-2-methylphenyl]prop-1-enyl]phenoxy]aniline?
4-[4-[2-[4-(4-aminophenoxy)-2-methylphenyl]prop-1-enyl]phenoxy]aniline has a molecular weight of 422.53 g/mol, XLogP of 7.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[4-(4-aminophenoxy)-2-methylphenyl]prop-1-enyl]phenoxy]aniline is sourced from PubChem (CID 67808064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).