1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)propan-2-amine

C15H14BrClFN — CID 55186200

IUPAC1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)propan-2-amine
SMILESCC(N)(Cc1ccc(F)cc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C15H14BrClFN/c1-15(19,11-3-5-12(17)6-4-11)9-10-2-7-13(18)8-14(10)16/h2-8H,9,19H2,1H3
InChIKeyALBAZLZLZMEBEQ-UHFFFAOYSA-N
MW342.64 g/mol
LogP4.66
Rot. Bonds3

About 1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)propan-2-amine

1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)propan-2-amine (PubChem CID 55186200) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)propan-2-amine
PubChem CID55186200
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC Name1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)propan-2-amine
SMILESCC(N)(Cc1ccc(F)cc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C15H14BrClFN/c1-15(19,11-3-5-12(17)6-4-11)9-10-2-7-13(18)8-14(10)16/h2-8H,9,19H2,1H3
InChIKeyALBAZLZLZMEBEQ-UHFFFAOYSA-N
XLogP4.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.64
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)propan-2-amine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)propan-2-amine (CID 55186200) is 1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)propan-2-amine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)propan-2-amine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)propan-2-amine is CC(N)(Cc1ccc(F)cc1Br)c1ccc(Cl)cc1.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)propan-2-amine?
The InChIKey is ALBAZLZLZMEBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-15(19,11-3-5-12(17)6-4-11)9-10-2-7-13(18)8-14(10)16/h2-8H,9,19H2,1H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)propan-2-amine?
1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)propan-2-amine has a molecular weight of 342.64 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)propan-2-amine is sourced from PubChem (CID 55186200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).