4-phenoxy-2,6-di(propan-2-yl)aniline

C18H23NO — CID 13272139

IUPAC4-phenoxy-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1N
InChIInChI=1S/C18H23NO/c1-12(2)16-10-15(11-17(13(3)4)18(16)19)20-14-8-6-5-7-9-14/h5-13H,19H2,1-4H3
InChIKeyWRBGLNGTYOVAJO-UHFFFAOYSA-N
MW269.39 g/mol
LogP5.31
Rot. Bonds4

About 4-phenoxy-2,6-di(propan-2-yl)aniline

4-phenoxy-2,6-di(propan-2-yl)aniline (PubChem CID 13272139) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-phenoxy-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound Name4-phenoxy-2,6-di(propan-2-yl)aniline
PubChem CID13272139
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-phenoxy-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1N
InChIInChI=1S/C18H23NO/c1-12(2)16-10-15(11-17(13(3)4)18(16)19)20-14-8-6-5-7-9-14/h5-13H,19H2,1-4H3
InChIKeyWRBGLNGTYOVAJO-UHFFFAOYSA-N
XLogP5.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.39
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-phenoxy-2,6-di(propan-2-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-2,6-di(propan-2-yl)aniline?
The IUPAC name of 4-phenoxy-2,6-di(propan-2-yl)aniline (CID 13272139) is 4-phenoxy-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for 4-phenoxy-2,6-di(propan-2-yl)aniline?
The canonical SMILES for 4-phenoxy-2,6-di(propan-2-yl)aniline is CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1N.
What is the InChIKey of 4-phenoxy-2,6-di(propan-2-yl)aniline?
The InChIKey is WRBGLNGTYOVAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-12(2)16-10-15(11-17(13(3)4)18(16)19)20-14-8-6-5-7-9-14/h5-13H,19H2,1-4H3.
What are the key properties of 4-phenoxy-2,6-di(propan-2-yl)aniline?
4-phenoxy-2,6-di(propan-2-yl)aniline has a molecular weight of 269.39 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 13272139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).