2-[2-(2-amino-4-phenylmethoxyphenoxy)ethoxy]-5-phenylmethoxyaniline

C28H28N2O4 — CID 10366797

IUPAC2-[2-(2-amino-4-phenylmethoxyphenoxy)ethoxy]-5-phenylmethoxyaniline
SMILESNc1cc(OCc2ccccc2)ccc1OCCOc1ccc(OCc2ccccc2)cc1N
InChIInChI=1S/C28H28N2O4/c29-25-17-23(33-19-21-7-3-1-4-8-21)11-13-27(25)31-15-16-32-28-14-12-24(18-26(28)30)34-20-22-9-5-2-6-10-22/h1-14,17-18H,15-16,19-20,29-30H2
InChIKeyQRGHFDWUCTUORU-UHFFFAOYSA-N
MW456.54 g/mol
LogP5.47
Rot. Bonds11

About 2-[2-(2-amino-4-phenylmethoxyphenoxy)ethoxy]-5-phenylmethoxyaniline

2-[2-(2-amino-4-phenylmethoxyphenoxy)ethoxy]-5-phenylmethoxyaniline (PubChem CID 10366797) has the molecular formula C28H28N2O4 and a molecular weight of 456.54 g/mol. Its IUPAC name is 2-[2-(2-amino-4-phenylmethoxyphenoxy)ethoxy]-5-phenylmethoxyaniline.

Molecular Properties

Compound Name2-[2-(2-amino-4-phenylmethoxyphenoxy)ethoxy]-5-phenylmethoxyaniline
PubChem CID10366797
Molecular FormulaC28H28N2O4
Molecular Weight456.54 g/mol
Exact Mass456.20
IUPAC Name2-[2-(2-amino-4-phenylmethoxyphenoxy)ethoxy]-5-phenylmethoxyaniline
SMILESNc1cc(OCc2ccccc2)ccc1OCCOc1ccc(OCc2ccccc2)cc1N
InChIInChI=1S/C28H28N2O4/c29-25-17-23(33-19-21-7-3-1-4-8-21)11-13-27(25)31-15-16-32-28-14-12-24(18-26(28)30)34-20-22-9-5-2-6-10-22/h1-14,17-18H,15-16,19-20,29-30H2
InChIKeyQRGHFDWUCTUORU-UHFFFAOYSA-N
XLogP5.47
TPSA88.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.54
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-4-phenylmethoxyphenoxy)ethoxy]-5-phenylmethoxyaniline?
The IUPAC name of 2-[2-(2-amino-4-phenylmethoxyphenoxy)ethoxy]-5-phenylmethoxyaniline (CID 10366797) is 2-[2-(2-amino-4-phenylmethoxyphenoxy)ethoxy]-5-phenylmethoxyaniline.
What is the SMILES notation for 2-[2-(2-amino-4-phenylmethoxyphenoxy)ethoxy]-5-phenylmethoxyaniline?
The canonical SMILES for 2-[2-(2-amino-4-phenylmethoxyphenoxy)ethoxy]-5-phenylmethoxyaniline is Nc1cc(OCc2ccccc2)ccc1OCCOc1ccc(OCc2ccccc2)cc1N.
What is the InChIKey of 2-[2-(2-amino-4-phenylmethoxyphenoxy)ethoxy]-5-phenylmethoxyaniline?
The InChIKey is QRGHFDWUCTUORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O4/c29-25-17-23(33-19-21-7-3-1-4-8-21)11-13-27(25)31-15-16-32-28-14-12-24(18-26(28)30)34-20-22-9-5-2-6-10-22/h1-14,17-18H,15-16,19-20,29-30H2.
What are the key properties of 2-[2-(2-amino-4-phenylmethoxyphenoxy)ethoxy]-5-phenylmethoxyaniline?
2-[2-(2-amino-4-phenylmethoxyphenoxy)ethoxy]-5-phenylmethoxyaniline has a molecular weight of 456.54 g/mol, XLogP of 5.47, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-amino-4-phenylmethoxyphenoxy)ethoxy]-5-phenylmethoxyaniline is sourced from PubChem (CID 10366797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).