2-(2-amino-5-bromo-4-methylphenoxy)propan-2-ol

C10H14BrNO2 — CID 123350110

IUPAC2-(2-amino-5-bromo-4-methylphenoxy)propan-2-ol
SMILESCc1cc(N)c(OC(C)(C)O)cc1Br
InChIInChI=1S/C10H14BrNO2/c1-6-4-8(12)9(5-7(6)11)14-10(2,3)13/h4-5,13H,12H2,1-3H3
InChIKeyOWUQPQOMDCNZMH-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.45
Rot. Bonds2

About 2-(2-amino-5-bromo-4-methylphenoxy)propan-2-ol

2-(2-amino-5-bromo-4-methylphenoxy)propan-2-ol (PubChem CID 123350110) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 2-(2-amino-5-bromo-4-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name2-(2-amino-5-bromo-4-methylphenoxy)propan-2-ol
PubChem CID123350110
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name2-(2-amino-5-bromo-4-methylphenoxy)propan-2-ol
SMILESCc1cc(N)c(OC(C)(C)O)cc1Br
InChIInChI=1S/C10H14BrNO2/c1-6-4-8(12)9(5-7(6)11)14-10(2,3)13/h4-5,13H,12H2,1-3H3
InChIKeyOWUQPQOMDCNZMH-UHFFFAOYSA-N
XLogP2.45
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-bromo-4-methylphenoxy)propan-2-ol?
The IUPAC name of 2-(2-amino-5-bromo-4-methylphenoxy)propan-2-ol (CID 123350110) is 2-(2-amino-5-bromo-4-methylphenoxy)propan-2-ol.
What is the SMILES notation for 2-(2-amino-5-bromo-4-methylphenoxy)propan-2-ol?
The canonical SMILES for 2-(2-amino-5-bromo-4-methylphenoxy)propan-2-ol is Cc1cc(N)c(OC(C)(C)O)cc1Br.
What is the InChIKey of 2-(2-amino-5-bromo-4-methylphenoxy)propan-2-ol?
The InChIKey is OWUQPQOMDCNZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-6-4-8(12)9(5-7(6)11)14-10(2,3)13/h4-5,13H,12H2,1-3H3.
What are the key properties of 2-(2-amino-5-bromo-4-methylphenoxy)propan-2-ol?
2-(2-amino-5-bromo-4-methylphenoxy)propan-2-ol has a molecular weight of 260.13 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-bromo-4-methylphenoxy)propan-2-ol is sourced from PubChem (CID 123350110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).