2-(propan-2-ylamino)phenol

C9H13NO — CID 586012

IUPAC2-(propan-2-ylamino)phenol
SMILESCC(C)Nc1ccccc1O
InChIInChI=1S/C9H13NO/c1-7(2)10-8-5-3-4-6-9(8)11/h3-7,10-11H,1-2H3
InChIKeyBLCSQUZTWKPKSR-UHFFFAOYSA-N
MW151.21 g/mol
LogP2.21
Rot. Bonds2

About 2-(propan-2-ylamino)phenol

2-(propan-2-ylamino)phenol (PubChem CID 586012) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-(propan-2-ylamino)phenol.

Molecular Properties

Compound Name2-(propan-2-ylamino)phenol
PubChem CID586012
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-(propan-2-ylamino)phenol
SMILESCC(C)Nc1ccccc1O
InChIInChI=1S/C9H13NO/c1-7(2)10-8-5-3-4-6-9(8)11/h3-7,10-11H,1-2H3
InChIKeyBLCSQUZTWKPKSR-UHFFFAOYSA-N
XLogP2.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)phenol?
The IUPAC name of 2-(propan-2-ylamino)phenol (CID 586012) is 2-(propan-2-ylamino)phenol.
What is the SMILES notation for 2-(propan-2-ylamino)phenol?
The canonical SMILES for 2-(propan-2-ylamino)phenol is CC(C)Nc1ccccc1O.
What is the InChIKey of 2-(propan-2-ylamino)phenol?
The InChIKey is BLCSQUZTWKPKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7(2)10-8-5-3-4-6-9(8)11/h3-7,10-11H,1-2H3.
What are the key properties of 2-(propan-2-ylamino)phenol?
2-(propan-2-ylamino)phenol has a molecular weight of 151.21 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)phenol is sourced from PubChem (CID 586012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).