2-bromo-4-(propan-2-ylamino)phenol

C9H12BrNO — CID 68759893

IUPAC2-bromo-4-(propan-2-ylamino)phenol
SMILESCC(C)Nc1ccc(O)c(Br)c1
InChIInChI=1S/C9H12BrNO/c1-6(2)11-7-3-4-9(12)8(10)5-7/h3-6,11-12H,1-2H3
InChIKeyUZXGUABDMSQVOD-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.97
Rot. Bonds2

About 2-bromo-4-(propan-2-ylamino)phenol

2-bromo-4-(propan-2-ylamino)phenol (PubChem CID 68759893) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 2-bromo-4-(propan-2-ylamino)phenol.

Molecular Properties

Compound Name2-bromo-4-(propan-2-ylamino)phenol
PubChem CID68759893
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name2-bromo-4-(propan-2-ylamino)phenol
SMILESCC(C)Nc1ccc(O)c(Br)c1
InChIInChI=1S/C9H12BrNO/c1-6(2)11-7-3-4-9(12)8(10)5-7/h3-6,11-12H,1-2H3
InChIKeyUZXGUABDMSQVOD-UHFFFAOYSA-N
XLogP2.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(propan-2-ylamino)phenol?
The IUPAC name of 2-bromo-4-(propan-2-ylamino)phenol (CID 68759893) is 2-bromo-4-(propan-2-ylamino)phenol.
What is the SMILES notation for 2-bromo-4-(propan-2-ylamino)phenol?
The canonical SMILES for 2-bromo-4-(propan-2-ylamino)phenol is CC(C)Nc1ccc(O)c(Br)c1.
What is the InChIKey of 2-bromo-4-(propan-2-ylamino)phenol?
The InChIKey is UZXGUABDMSQVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-6(2)11-7-3-4-9(12)8(10)5-7/h3-6,11-12H,1-2H3.
What are the key properties of 2-bromo-4-(propan-2-ylamino)phenol?
2-bromo-4-(propan-2-ylamino)phenol has a molecular weight of 230.10 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(propan-2-ylamino)phenol is sourced from PubChem (CID 68759893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).