3-[4-[[2-[[4-(3-aminophenoxy)phenyl]methyl]phenyl]methyl]phenoxy]aniline

C32H28N2O2 — CID 141141650

IUPAC3-[4-[[2-[[4-(3-aminophenoxy)phenyl]methyl]phenyl]methyl]phenoxy]aniline
SMILESNc1cccc(Oc2ccc(Cc3ccccc3Cc3ccc(Oc4cccc(N)c4)cc3)cc2)c1
InChIInChI=1S/C32H28N2O2/c33-27-7-3-9-31(21-27)35-29-15-11-23(12-16-29)19-25-5-1-2-6-26(25)20-24-13-17-30(18-14-24)36-32-10-4-8-28(34)22-32/h1-18,21-22H,19-20,33-34H2
InChIKeyUEGZABMTAKWNJA-UHFFFAOYSA-N
MW472.59 g/mol
LogP7.62
Rot. Bonds8

About 3-[4-[[2-[[4-(3-aminophenoxy)phenyl]methyl]phenyl]methyl]phenoxy]aniline

3-[4-[[2-[[4-(3-aminophenoxy)phenyl]methyl]phenyl]methyl]phenoxy]aniline (PubChem CID 141141650) has the molecular formula C32H28N2O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 3-[4-[[2-[[4-(3-aminophenoxy)phenyl]methyl]phenyl]methyl]phenoxy]aniline.

Molecular Properties

Compound Name3-[4-[[2-[[4-(3-aminophenoxy)phenyl]methyl]phenyl]methyl]phenoxy]aniline
PubChem CID141141650
Molecular FormulaC32H28N2O2
Molecular Weight472.59 g/mol
Exact Mass472.22
IUPAC Name3-[4-[[2-[[4-(3-aminophenoxy)phenyl]methyl]phenyl]methyl]phenoxy]aniline
SMILESNc1cccc(Oc2ccc(Cc3ccccc3Cc3ccc(Oc4cccc(N)c4)cc3)cc2)c1
InChIInChI=1S/C32H28N2O2/c33-27-7-3-9-31(21-27)35-29-15-11-23(12-16-29)19-25-5-1-2-6-26(25)20-24-13-17-30(18-14-24)36-32-10-4-8-28(34)22-32/h1-18,21-22H,19-20,33-34H2
InChIKeyUEGZABMTAKWNJA-UHFFFAOYSA-N
XLogP7.62
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 57.62
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-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338635
3-[4-(4-aminophenoxy)phenoxy]aniline
CID 22184043
3-(3-phenoxyphenoxy)aniline
CID 68727404
3-[4-[2-[2-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338564
3-[2-[4-[3-[2-[3-[4-[2-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338477
3-[4-[4-[2-[2-[4-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338441
3-[2-[2-[2-(4-aminophenoxy)phenyl]ethyl]phenoxy]aniline
CID 67120556
3-[3,5-bis(3-aminophenoxy)phenoxy]aniline
CID 19698881
ethane;3-[4-(methoxymethyl)phenoxy]aniline;molecular hydrogen
CID 145261840
3-[4-[2-[4-(3-aminophenoxy)phenyl]propyl]phenoxy]aniline
CID 18363747
3-[2-(3-phenoxyphenoxy)phenoxy]aniline
CID 141038666
3-[4-[3-(3-aminophenoxy)phenyl]phenoxy]aniline
CID 18381163

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-[[4-(3-aminophenoxy)phenyl]methyl]phenyl]methyl]phenoxy]aniline?
The IUPAC name of 3-[4-[[2-[[4-(3-aminophenoxy)phenyl]methyl]phenyl]methyl]phenoxy]aniline (CID 141141650) is 3-[4-[[2-[[4-(3-aminophenoxy)phenyl]methyl]phenyl]methyl]phenoxy]aniline.
What is the SMILES notation for 3-[4-[[2-[[4-(3-aminophenoxy)phenyl]methyl]phenyl]methyl]phenoxy]aniline?
The canonical SMILES for 3-[4-[[2-[[4-(3-aminophenoxy)phenyl]methyl]phenyl]methyl]phenoxy]aniline is Nc1cccc(Oc2ccc(Cc3ccccc3Cc3ccc(Oc4cccc(N)c4)cc3)cc2)c1.
What is the InChIKey of 3-[4-[[2-[[4-(3-aminophenoxy)phenyl]methyl]phenyl]methyl]phenoxy]aniline?
The InChIKey is UEGZABMTAKWNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2O2/c33-27-7-3-9-31(21-27)35-29-15-11-23(12-16-29)19-25-5-1-2-6-26(25)20-24-13-17-30(18-14-24)36-32-10-4-8-28(34)22-32/h1-18,21-22H,19-20,33-34H2.
What are the key properties of 3-[4-[[2-[[4-(3-aminophenoxy)phenyl]methyl]phenyl]methyl]phenoxy]aniline?
3-[4-[[2-[[4-(3-aminophenoxy)phenyl]methyl]phenyl]methyl]phenoxy]aniline has a molecular weight of 472.59 g/mol, XLogP of 7.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-[[4-(3-aminophenoxy)phenyl]methyl]phenyl]methyl]phenoxy]aniline is sourced from PubChem (CID 141141650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).