4-(2,2-dimethylpropylideneamino)phenol

C11H15NO — CID 131238299

IUPAC4-(2,2-dimethylpropylideneamino)phenol
SMILESCC(C)(C)/C=N/c1ccc(O)cc1
InChIInChI=1S/C11H15NO/c1-11(2,3)8-12-9-4-6-10(13)7-5-9/h4-8,13H,1-3H3/b12-8+
InChIKeyYQEONQWXYGBPBC-XYOKQWHBSA-N
MW177.25 g/mol
LogP3.14
Rot. Bonds1

About 4-(2,2-dimethylpropylideneamino)phenol

4-(2,2-dimethylpropylideneamino)phenol (PubChem CID 131238299) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-(2,2-dimethylpropylideneamino)phenol.

Molecular Properties

Compound Name4-(2,2-dimethylpropylideneamino)phenol
PubChem CID131238299
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name4-(2,2-dimethylpropylideneamino)phenol
SMILESCC(C)(C)/C=N/c1ccc(O)cc1
InChIInChI=1S/C11H15NO/c1-11(2,3)8-12-9-4-6-10(13)7-5-9/h4-8,13H,1-3H3/b12-8+
InChIKeyYQEONQWXYGBPBC-XYOKQWHBSA-N
XLogP3.14
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropylideneamino)phenol?
The IUPAC name of 4-(2,2-dimethylpropylideneamino)phenol (CID 131238299) is 4-(2,2-dimethylpropylideneamino)phenol.
What is the SMILES notation for 4-(2,2-dimethylpropylideneamino)phenol?
The canonical SMILES for 4-(2,2-dimethylpropylideneamino)phenol is CC(C)(C)/C=N/c1ccc(O)cc1.
What is the InChIKey of 4-(2,2-dimethylpropylideneamino)phenol?
The InChIKey is YQEONQWXYGBPBC-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H15NO/c1-11(2,3)8-12-9-4-6-10(13)7-5-9/h4-8,13H,1-3H3/b12-8+.
What are the key properties of 4-(2,2-dimethylpropylideneamino)phenol?
4-(2,2-dimethylpropylideneamino)phenol has a molecular weight of 177.25 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropylideneamino)phenol is sourced from PubChem (CID 131238299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).