2-(5-bromo-2-fluorophenyl)-1-(methylamino)propan-2-ol

C10H13BrFNO — CID 79740346

IUPAC2-(5-bromo-2-fluorophenyl)-1-(methylamino)propan-2-ol
SMILESCNCC(C)(O)c1cc(Br)ccc1F
InChIInChI=1S/C10H13BrFNO/c1-10(14,6-13-2)8-5-7(11)3-4-9(8)12/h3-5,13-14H,6H2,1-2H3
InChIKeyFVQVKEQRJDZKDB-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.02
Rot. Bonds3

About 2-(5-bromo-2-fluorophenyl)-1-(methylamino)propan-2-ol

2-(5-bromo-2-fluorophenyl)-1-(methylamino)propan-2-ol (PubChem CID 79740346) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(methylamino)propan-2-ol.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(methylamino)propan-2-ol
PubChem CID79740346
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(methylamino)propan-2-ol
SMILESCNCC(C)(O)c1cc(Br)ccc1F
InChIInChI=1S/C10H13BrFNO/c1-10(14,6-13-2)8-5-7(11)3-4-9(8)12/h3-5,13-14H,6H2,1-2H3
InChIKeyFVQVKEQRJDZKDB-UHFFFAOYSA-N
XLogP2.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(methylamino)propan-2-ol?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(methylamino)propan-2-ol (CID 79740346) is 2-(5-bromo-2-fluorophenyl)-1-(methylamino)propan-2-ol.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(methylamino)propan-2-ol?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(methylamino)propan-2-ol is CNCC(C)(O)c1cc(Br)ccc1F.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(methylamino)propan-2-ol?
The InChIKey is FVQVKEQRJDZKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO/c1-10(14,6-13-2)8-5-7(11)3-4-9(8)12/h3-5,13-14H,6H2,1-2H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(methylamino)propan-2-ol?
2-(5-bromo-2-fluorophenyl)-1-(methylamino)propan-2-ol has a molecular weight of 262.12 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-(methylamino)propan-2-ol is sourced from PubChem (CID 79740346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).