3-[(5-bromo-2-fluorophenyl)methylamino]phenol

C13H11BrFNO — CID 28722164

IUPAC3-[(5-bromo-2-fluorophenyl)methylamino]phenol
SMILESOc1cccc(NCc2cc(Br)ccc2F)c1
InChIInChI=1S/C13H11BrFNO/c14-10-4-5-13(15)9(6-10)8-16-11-2-1-3-12(17)7-11/h1-7,16-17H,8H2
InChIKeyAHXINTPSVWQTTQ-UHFFFAOYSA-N
MW296.14 g/mol
LogP3.91
Rot. Bonds3

About 3-[(5-bromo-2-fluorophenyl)methylamino]phenol

3-[(5-bromo-2-fluorophenyl)methylamino]phenol (PubChem CID 28722164) has the molecular formula C13H11BrFNO and a molecular weight of 296.14 g/mol. Its IUPAC name is 3-[(5-bromo-2-fluorophenyl)methylamino]phenol.

Molecular Properties

Compound Name3-[(5-bromo-2-fluorophenyl)methylamino]phenol
PubChem CID28722164
Molecular FormulaC13H11BrFNO
Molecular Weight296.14 g/mol
Exact Mass295.00
IUPAC Name3-[(5-bromo-2-fluorophenyl)methylamino]phenol
SMILESOc1cccc(NCc2cc(Br)ccc2F)c1
InChIInChI=1S/C13H11BrFNO/c14-10-4-5-13(15)9(6-10)8-16-11-2-1-3-12(17)7-11/h1-7,16-17H,8H2
InChIKeyAHXINTPSVWQTTQ-UHFFFAOYSA-N
XLogP3.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.14
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-fluorophenyl)methylamino]phenol?
The IUPAC name of 3-[(5-bromo-2-fluorophenyl)methylamino]phenol (CID 28722164) is 3-[(5-bromo-2-fluorophenyl)methylamino]phenol.
What is the SMILES notation for 3-[(5-bromo-2-fluorophenyl)methylamino]phenol?
The canonical SMILES for 3-[(5-bromo-2-fluorophenyl)methylamino]phenol is Oc1cccc(NCc2cc(Br)ccc2F)c1.
What is the InChIKey of 3-[(5-bromo-2-fluorophenyl)methylamino]phenol?
The InChIKey is AHXINTPSVWQTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO/c14-10-4-5-13(15)9(6-10)8-16-11-2-1-3-12(17)7-11/h1-7,16-17H,8H2.
What are the key properties of 3-[(5-bromo-2-fluorophenyl)methylamino]phenol?
3-[(5-bromo-2-fluorophenyl)methylamino]phenol has a molecular weight of 296.14 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-fluorophenyl)methylamino]phenol is sourced from PubChem (CID 28722164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).