3-[4-[4-(3-aminophenoxy)-3,5-dimethylphenyl]phenoxy]aniline

C26H24N2O2 — CID 18517163

IUPAC3-[4-[4-(3-aminophenoxy)-3,5-dimethylphenyl]phenoxy]aniline
SMILESCc1cc(-c2ccc(Oc3cccc(N)c3)cc2)cc(C)c1Oc1cccc(N)c1
InChIInChI=1S/C26H24N2O2/c1-17-13-20(14-18(2)26(17)30-25-8-4-6-22(28)16-25)19-9-11-23(12-10-19)29-24-7-3-5-21(27)15-24/h3-16H,27-28H2,1-2H3
InChIKeyKZGXKAPDSOGTQO-UHFFFAOYSA-N
MW396.49 g/mol
LogP6.72
Rot. Bonds5

About 3-[4-[4-(3-aminophenoxy)-3,5-dimethylphenyl]phenoxy]aniline

3-[4-[4-(3-aminophenoxy)-3,5-dimethylphenyl]phenoxy]aniline (PubChem CID 18517163) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 3-[4-[4-(3-aminophenoxy)-3,5-dimethylphenyl]phenoxy]aniline.

Molecular Properties

Compound Name3-[4-[4-(3-aminophenoxy)-3,5-dimethylphenyl]phenoxy]aniline
PubChem CID18517163
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name3-[4-[4-(3-aminophenoxy)-3,5-dimethylphenyl]phenoxy]aniline
SMILESCc1cc(-c2ccc(Oc3cccc(N)c3)cc2)cc(C)c1Oc1cccc(N)c1
InChIInChI=1S/C26H24N2O2/c1-17-13-20(14-18(2)26(17)30-25-8-4-6-22(28)16-25)19-9-11-23(12-10-19)29-24-7-3-5-21(27)15-24/h3-16H,27-28H2,1-2H3
InChIKeyKZGXKAPDSOGTQO-UHFFFAOYSA-N
XLogP6.72
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 56.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[3-(3-aminophenoxy)phenyl]phenoxy]aniline
CID 18381163
3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338635
3-[4-[4-(3-tert-butylphenoxy)phenyl]phenoxy]aniline
CID 143534956
3-[4-(4-aminophenoxy)phenoxy]aniline
CID 22184043
3-[4-[2-[4-[2-[4-(3-aminophenoxy)-3,5-dimethylphenyl]propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenoxy]aniline
CID 22402603
4-(3-aminophenoxy)-3,5-dimethylbenzamide
CID 80751978
3-[4-[5-[4-(3-aminophenoxy)-3,5-dimethylphenyl]-2-[4-(3-aminophenoxy)-3-methylphenyl]-5-[4-(3-aminophenoxy)phenyl]hexan-2-yl]phenoxy]aniline
CID 57125652
3-(3-phenoxyphenoxy)aniline
CID 68727404
3-[3,5-bis(3-aminophenoxy)phenoxy]aniline
CID 19698881
4-[3-[4-[3-(4-methylphenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 174332614
4-[3-[4-(4-methylphenoxy)phenoxy]phenoxy]aniline
CID 174332616
1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
CID 22967305

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(3-aminophenoxy)-3,5-dimethylphenyl]phenoxy]aniline?
The IUPAC name of 3-[4-[4-(3-aminophenoxy)-3,5-dimethylphenyl]phenoxy]aniline (CID 18517163) is 3-[4-[4-(3-aminophenoxy)-3,5-dimethylphenyl]phenoxy]aniline.
What is the SMILES notation for 3-[4-[4-(3-aminophenoxy)-3,5-dimethylphenyl]phenoxy]aniline?
The canonical SMILES for 3-[4-[4-(3-aminophenoxy)-3,5-dimethylphenyl]phenoxy]aniline is Cc1cc(-c2ccc(Oc3cccc(N)c3)cc2)cc(C)c1Oc1cccc(N)c1.
What is the InChIKey of 3-[4-[4-(3-aminophenoxy)-3,5-dimethylphenyl]phenoxy]aniline?
The InChIKey is KZGXKAPDSOGTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-17-13-20(14-18(2)26(17)30-25-8-4-6-22(28)16-25)19-9-11-23(12-10-19)29-24-7-3-5-21(27)15-24/h3-16H,27-28H2,1-2H3.
What are the key properties of 3-[4-[4-(3-aminophenoxy)-3,5-dimethylphenyl]phenoxy]aniline?
3-[4-[4-(3-aminophenoxy)-3,5-dimethylphenyl]phenoxy]aniline has a molecular weight of 396.49 g/mol, XLogP of 6.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(3-aminophenoxy)-3,5-dimethylphenyl]phenoxy]aniline is sourced from PubChem (CID 18517163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).