2-(5-bromo-4-chloro-2-fluorophenyl)propan-2-amine

C9H10BrClFN — CID 84807957

IUPAC2-(5-bromo-4-chloro-2-fluorophenyl)propan-2-amine
SMILESCC(C)(N)c1cc(Br)c(Cl)cc1F
InChIInChI=1S/C9H10BrClFN/c1-9(2,13)5-3-6(10)7(11)4-8(5)12/h3-4H,13H2,1-2H3
InChIKeyHJBNBHOMDIYZAA-UHFFFAOYSA-N
MW266.54 g/mol
LogP3.44
Rot. Bonds1

About 2-(5-bromo-4-chloro-2-fluorophenyl)propan-2-amine

2-(5-bromo-4-chloro-2-fluorophenyl)propan-2-amine (PubChem CID 84807957) has the molecular formula C9H10BrClFN and a molecular weight of 266.54 g/mol. Its IUPAC name is 2-(5-bromo-4-chloro-2-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name2-(5-bromo-4-chloro-2-fluorophenyl)propan-2-amine
PubChem CID84807957
Molecular FormulaC9H10BrClFN
Molecular Weight266.54 g/mol
Exact Mass264.97
IUPAC Name2-(5-bromo-4-chloro-2-fluorophenyl)propan-2-amine
SMILESCC(C)(N)c1cc(Br)c(Cl)cc1F
InChIInChI=1S/C9H10BrClFN/c1-9(2,13)5-3-6(10)7(11)4-8(5)12/h3-4H,13H2,1-2H3
InChIKeyHJBNBHOMDIYZAA-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.54
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-chloro-2-fluorophenyl)propan-2-amine?
The IUPAC name of 2-(5-bromo-4-chloro-2-fluorophenyl)propan-2-amine (CID 84807957) is 2-(5-bromo-4-chloro-2-fluorophenyl)propan-2-amine.
What is the SMILES notation for 2-(5-bromo-4-chloro-2-fluorophenyl)propan-2-amine?
The canonical SMILES for 2-(5-bromo-4-chloro-2-fluorophenyl)propan-2-amine is CC(C)(N)c1cc(Br)c(Cl)cc1F.
What is the InChIKey of 2-(5-bromo-4-chloro-2-fluorophenyl)propan-2-amine?
The InChIKey is HJBNBHOMDIYZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClFN/c1-9(2,13)5-3-6(10)7(11)4-8(5)12/h3-4H,13H2,1-2H3.
What are the key properties of 2-(5-bromo-4-chloro-2-fluorophenyl)propan-2-amine?
2-(5-bromo-4-chloro-2-fluorophenyl)propan-2-amine has a molecular weight of 266.54 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-chloro-2-fluorophenyl)propan-2-amine is sourced from PubChem (CID 84807957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).