4-amino-2-(2-methylpropyl)phenol

C10H15NO — CID 56609860

IUPAC4-amino-2-(2-methylpropyl)phenol
SMILESCC(C)Cc1cc(N)ccc1O
InChIInChI=1S/C10H15NO/c1-7(2)5-8-6-9(11)3-4-10(8)12/h3-4,6-7,12H,5,11H2,1-2H3
InChIKeyRKAGSDNHCHISPT-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.17
Rot. Bonds2

About 4-amino-2-(2-methylpropyl)phenol

4-amino-2-(2-methylpropyl)phenol (PubChem CID 56609860) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-amino-2-(2-methylpropyl)phenol.

Molecular Properties

Compound Name4-amino-2-(2-methylpropyl)phenol
PubChem CID56609860
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4-amino-2-(2-methylpropyl)phenol
SMILESCC(C)Cc1cc(N)ccc1O
InChIInChI=1S/C10H15NO/c1-7(2)5-8-6-9(11)3-4-10(8)12/h3-4,6-7,12H,5,11H2,1-2H3
InChIKeyRKAGSDNHCHISPT-UHFFFAOYSA-N
XLogP2.17
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.17
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-(2-methylpropyl)phenol?
The IUPAC name of 4-amino-2-(2-methylpropyl)phenol (CID 56609860) is 4-amino-2-(2-methylpropyl)phenol.
What is the SMILES notation for 4-amino-2-(2-methylpropyl)phenol?
The canonical SMILES for 4-amino-2-(2-methylpropyl)phenol is CC(C)Cc1cc(N)ccc1O.
What is the InChIKey of 4-amino-2-(2-methylpropyl)phenol?
The InChIKey is RKAGSDNHCHISPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-7(2)5-8-6-9(11)3-4-10(8)12/h3-4,6-7,12H,5,11H2,1-2H3.
What are the key properties of 4-amino-2-(2-methylpropyl)phenol?
4-amino-2-(2-methylpropyl)phenol has a molecular weight of 165.24 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-methylpropyl)phenol is sourced from PubChem (CID 56609860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).