4-[2-[1-[2-(4-aminophenoxy)-5-methylphenyl]ethyl]-4-methylphenoxy]aniline

C28H28N2O2 — CID 22237122

IUPAC4-[2-[1-[2-(4-aminophenoxy)-5-methylphenyl]ethyl]-4-methylphenoxy]aniline
SMILESCc1ccc(Oc2ccc(N)cc2)c(C(C)c2cc(C)ccc2Oc2ccc(N)cc2)c1
InChIInChI=1S/C28H28N2O2/c1-18-4-14-27(31-23-10-6-21(29)7-11-23)25(16-18)20(3)26-17-19(2)5-15-28(26)32-24-12-8-22(30)9-13-24/h4-17,20H,29-30H2,1-3H3
InChIKeyIYDFHFPPYIVQAX-UHFFFAOYSA-N
MW424.54 g/mol
LogP7.20
Rot. Bonds6

About 4-[2-[1-[2-(4-aminophenoxy)-5-methylphenyl]ethyl]-4-methylphenoxy]aniline

4-[2-[1-[2-(4-aminophenoxy)-5-methylphenyl]ethyl]-4-methylphenoxy]aniline (PubChem CID 22237122) has the molecular formula C28H28N2O2 and a molecular weight of 424.54 g/mol. Its IUPAC name is 4-[2-[1-[2-(4-aminophenoxy)-5-methylphenyl]ethyl]-4-methylphenoxy]aniline.

Molecular Properties

Compound Name4-[2-[1-[2-(4-aminophenoxy)-5-methylphenyl]ethyl]-4-methylphenoxy]aniline
PubChem CID22237122
Molecular FormulaC28H28N2O2
Molecular Weight424.54 g/mol
Exact Mass424.22
IUPAC Name4-[2-[1-[2-(4-aminophenoxy)-5-methylphenyl]ethyl]-4-methylphenoxy]aniline
SMILESCc1ccc(Oc2ccc(N)cc2)c(C(C)c2cc(C)ccc2Oc2ccc(N)cc2)c1
InChIInChI=1S/C28H28N2O2/c1-18-4-14-27(31-23-10-6-21(29)7-11-23)25(16-18)20(3)26-17-19(2)5-15-28(26)32-24-12-8-22(30)9-13-24/h4-17,20H,29-30H2,1-3H3
InChIKeyIYDFHFPPYIVQAX-UHFFFAOYSA-N
XLogP7.20
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 57.20
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

4-methyl-1-phenoxy-2-propan-2-ylbenzene
CID 54452186
4-[3-(4-aminophenoxy)-2,5-dimethylphenoxy]aniline
CID 139877807
1-[4-(2,4-dimethylphenoxy)phenyl]ethanamine
CID 43189138
4-[4-[2-[4-(4-aminophenoxy)-3-propan-2-ylphenyl]propan-2-yl]-2-propan-2-ylphenoxy]aniline
CID 22908520
2-(4-methylphenoxy)benzene-1,4-diamine
CID 163806910
2-(4-aminophenoxy)-4-methylbenzamide
CID 62308033
3,6-bis(4-aminophenoxy)benzene-1,2-diamine
CID 158381667
5-methyl-2-(3-methyl-4-propan-2-ylphenoxy)aniline
CID 43349562
4-methyl-3-(4-propan-2-ylphenoxy)aniline
CID 155433623
3-chloro-4-(4-propan-2-ylphenoxy)aniline
CID 26189720
4-[3-(4-aminophenoxy)-5-methylphenoxy]aniline
CID 59187914
4-[1-[4-(4-aminophenoxy)phenyl]ethyl]aniline
CID 70667408

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[2-(4-aminophenoxy)-5-methylphenyl]ethyl]-4-methylphenoxy]aniline?
The IUPAC name of 4-[2-[1-[2-(4-aminophenoxy)-5-methylphenyl]ethyl]-4-methylphenoxy]aniline (CID 22237122) is 4-[2-[1-[2-(4-aminophenoxy)-5-methylphenyl]ethyl]-4-methylphenoxy]aniline.
What is the SMILES notation for 4-[2-[1-[2-(4-aminophenoxy)-5-methylphenyl]ethyl]-4-methylphenoxy]aniline?
The canonical SMILES for 4-[2-[1-[2-(4-aminophenoxy)-5-methylphenyl]ethyl]-4-methylphenoxy]aniline is Cc1ccc(Oc2ccc(N)cc2)c(C(C)c2cc(C)ccc2Oc2ccc(N)cc2)c1.
What is the InChIKey of 4-[2-[1-[2-(4-aminophenoxy)-5-methylphenyl]ethyl]-4-methylphenoxy]aniline?
The InChIKey is IYDFHFPPYIVQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O2/c1-18-4-14-27(31-23-10-6-21(29)7-11-23)25(16-18)20(3)26-17-19(2)5-15-28(26)32-24-12-8-22(30)9-13-24/h4-17,20H,29-30H2,1-3H3.
What are the key properties of 4-[2-[1-[2-(4-aminophenoxy)-5-methylphenyl]ethyl]-4-methylphenoxy]aniline?
4-[2-[1-[2-(4-aminophenoxy)-5-methylphenyl]ethyl]-4-methylphenoxy]aniline has a molecular weight of 424.54 g/mol, XLogP of 7.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[2-(4-aminophenoxy)-5-methylphenyl]ethyl]-4-methylphenoxy]aniline is sourced from PubChem (CID 22237122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).