4-amino-2,6-di(propan-2-yl)phenol

C12H19NO — CID 818538

IUPAC4-amino-2,6-di(propan-2-yl)phenol
SMILESCC(C)c1cc(N)cc(C(C)C)c1O
InChIInChI=1S/C12H19NO/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8,14H,13H2,1-4H3
InChIKeyOIYNNJHEBQIVIJ-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.22
Rot. Bonds2

About 4-amino-2,6-di(propan-2-yl)phenol

4-amino-2,6-di(propan-2-yl)phenol (PubChem CID 818538) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-amino-2,6-di(propan-2-yl)phenol.

Molecular Properties

Compound Name4-amino-2,6-di(propan-2-yl)phenol
PubChem CID818538
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-amino-2,6-di(propan-2-yl)phenol
SMILESCC(C)c1cc(N)cc(C(C)C)c1O
InChIInChI=1S/C12H19NO/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8,14H,13H2,1-4H3
InChIKeyOIYNNJHEBQIVIJ-UHFFFAOYSA-N
XLogP3.22
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-di(propan-2-yl)phenol?
The IUPAC name of 4-amino-2,6-di(propan-2-yl)phenol (CID 818538) is 4-amino-2,6-di(propan-2-yl)phenol.
What is the SMILES notation for 4-amino-2,6-di(propan-2-yl)phenol?
The canonical SMILES for 4-amino-2,6-di(propan-2-yl)phenol is CC(C)c1cc(N)cc(C(C)C)c1O.
What is the InChIKey of 4-amino-2,6-di(propan-2-yl)phenol?
The InChIKey is OIYNNJHEBQIVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8,14H,13H2,1-4H3.
What are the key properties of 4-amino-2,6-di(propan-2-yl)phenol?
4-amino-2,6-di(propan-2-yl)phenol has a molecular weight of 193.29 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-di(propan-2-yl)phenol is sourced from PubChem (CID 818538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).