4-[3-(4-aminophenoxy)-2,2-dimethylpropoxy]aniline

C17H22N2O2 — CID 14121182

IUPAC4-[3-(4-aminophenoxy)-2,2-dimethylpropoxy]aniline
SMILESCC(C)(COc1ccc(N)cc1)COc1ccc(N)cc1
InChIInChI=1S/C17H22N2O2/c1-17(2,11-20-15-7-3-13(18)4-8-15)12-21-16-9-5-14(19)6-10-16/h3-10H,11-12,18-19H2,1-2H3
InChIKeyHPUJEBAZZTZOFL-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.34
Rot. Bonds6

About 4-[3-(4-aminophenoxy)-2,2-dimethylpropoxy]aniline

4-[3-(4-aminophenoxy)-2,2-dimethylpropoxy]aniline (PubChem CID 14121182) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[3-(4-aminophenoxy)-2,2-dimethylpropoxy]aniline.

Molecular Properties

Compound Name4-[3-(4-aminophenoxy)-2,2-dimethylpropoxy]aniline
PubChem CID14121182
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name4-[3-(4-aminophenoxy)-2,2-dimethylpropoxy]aniline
SMILESCC(C)(COc1ccc(N)cc1)COc1ccc(N)cc1
InChIInChI=1S/C17H22N2O2/c1-17(2,11-20-15-7-3-13(18)4-8-15)12-21-16-9-5-14(19)6-10-16/h3-10H,11-12,18-19H2,1-2H3
InChIKeyHPUJEBAZZTZOFL-UHFFFAOYSA-N
XLogP3.34
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.34
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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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-aminophenoxy)-2,2-dimethylpropoxy]aniline?
The IUPAC name of 4-[3-(4-aminophenoxy)-2,2-dimethylpropoxy]aniline (CID 14121182) is 4-[3-(4-aminophenoxy)-2,2-dimethylpropoxy]aniline.
What is the SMILES notation for 4-[3-(4-aminophenoxy)-2,2-dimethylpropoxy]aniline?
The canonical SMILES for 4-[3-(4-aminophenoxy)-2,2-dimethylpropoxy]aniline is CC(C)(COc1ccc(N)cc1)COc1ccc(N)cc1.
What is the InChIKey of 4-[3-(4-aminophenoxy)-2,2-dimethylpropoxy]aniline?
The InChIKey is HPUJEBAZZTZOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-17(2,11-20-15-7-3-13(18)4-8-15)12-21-16-9-5-14(19)6-10-16/h3-10H,11-12,18-19H2,1-2H3.
What are the key properties of 4-[3-(4-aminophenoxy)-2,2-dimethylpropoxy]aniline?
4-[3-(4-aminophenoxy)-2,2-dimethylpropoxy]aniline has a molecular weight of 286.38 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-aminophenoxy)-2,2-dimethylpropoxy]aniline is sourced from PubChem (CID 14121182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).