3-[(4-bromo-2-fluorophenyl)methylamino]-2,6-dimethylphenol

C15H15BrFNO — CID 43741796

IUPAC3-[(4-bromo-2-fluorophenyl)methylamino]-2,6-dimethylphenol
SMILESCc1ccc(NCc2ccc(Br)cc2F)c(C)c1O
InChIInChI=1S/C15H15BrFNO/c1-9-3-6-14(10(2)15(9)19)18-8-11-4-5-12(16)7-13(11)17/h3-7,18-19H,8H2,1-2H3
InChIKeyDSZUAIFKPVRCEB-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.52
Rot. Bonds3

About 3-[(4-bromo-2-fluorophenyl)methylamino]-2,6-dimethylphenol

3-[(4-bromo-2-fluorophenyl)methylamino]-2,6-dimethylphenol (PubChem CID 43741796) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 3-[(4-bromo-2-fluorophenyl)methylamino]-2,6-dimethylphenol.

Molecular Properties

Compound Name3-[(4-bromo-2-fluorophenyl)methylamino]-2,6-dimethylphenol
PubChem CID43741796
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name3-[(4-bromo-2-fluorophenyl)methylamino]-2,6-dimethylphenol
SMILESCc1ccc(NCc2ccc(Br)cc2F)c(C)c1O
InChIInChI=1S/C15H15BrFNO/c1-9-3-6-14(10(2)15(9)19)18-8-11-4-5-12(16)7-13(11)17/h3-7,18-19H,8H2,1-2H3
InChIKeyDSZUAIFKPVRCEB-UHFFFAOYSA-N
XLogP4.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-2-fluorophenyl)methylamino]-2,6-dimethylphenol?
The IUPAC name of 3-[(4-bromo-2-fluorophenyl)methylamino]-2,6-dimethylphenol (CID 43741796) is 3-[(4-bromo-2-fluorophenyl)methylamino]-2,6-dimethylphenol.
What is the SMILES notation for 3-[(4-bromo-2-fluorophenyl)methylamino]-2,6-dimethylphenol?
The canonical SMILES for 3-[(4-bromo-2-fluorophenyl)methylamino]-2,6-dimethylphenol is Cc1ccc(NCc2ccc(Br)cc2F)c(C)c1O.
What is the InChIKey of 3-[(4-bromo-2-fluorophenyl)methylamino]-2,6-dimethylphenol?
The InChIKey is DSZUAIFKPVRCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-9-3-6-14(10(2)15(9)19)18-8-11-4-5-12(16)7-13(11)17/h3-7,18-19H,8H2,1-2H3.
What are the key properties of 3-[(4-bromo-2-fluorophenyl)methylamino]-2,6-dimethylphenol?
3-[(4-bromo-2-fluorophenyl)methylamino]-2,6-dimethylphenol has a molecular weight of 324.19 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-2-fluorophenyl)methylamino]-2,6-dimethylphenol is sourced from PubChem (CID 43741796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).