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

C18H23N — CID 3025997

IUPAC4-phenyl-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1N
InChIInChI=1S/C18H23N/c1-12(2)16-10-15(14-8-6-5-7-9-14)11-17(13(3)4)18(16)19/h5-13H,19H2,1-4H3
InChIKeySJXGUJDBIYKQTJ-UHFFFAOYSA-N
MW253.39 g/mol
LogP5.18
Rot. Bonds3

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

4-phenyl-2,6-di(propan-2-yl)aniline (PubChem CID 3025997) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-phenyl-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound Name4-phenyl-2,6-di(propan-2-yl)aniline
PubChem CID3025997
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name4-phenyl-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1N
InChIInChI=1S/C18H23N/c1-12(2)16-10-15(14-8-6-5-7-9-14)11-17(13(3)4)18(16)19/h5-13H,19H2,1-4H3
InChIKeySJXGUJDBIYKQTJ-UHFFFAOYSA-N
XLogP5.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.39
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2,6-di(propan-2-yl)aniline?
The IUPAC name of 4-phenyl-2,6-di(propan-2-yl)aniline (CID 3025997) is 4-phenyl-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for 4-phenyl-2,6-di(propan-2-yl)aniline?
The canonical SMILES for 4-phenyl-2,6-di(propan-2-yl)aniline is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1N.
What is the InChIKey of 4-phenyl-2,6-di(propan-2-yl)aniline?
The InChIKey is SJXGUJDBIYKQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-12(2)16-10-15(14-8-6-5-7-9-14)11-17(13(3)4)18(16)19/h5-13H,19H2,1-4H3.
What are the key properties of 4-phenyl-2,6-di(propan-2-yl)aniline?
4-phenyl-2,6-di(propan-2-yl)aniline has a molecular weight of 253.39 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 3025997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).