3-(4-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-methylpropan-1-amine

C16H16BrClFN — CID 79449132

IUPAC3-(4-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(Br)cc1F)c1ccccc1Cl
InChIInChI=1S/C16H16BrClFN/c1-20-10-12(14-4-2-3-5-15(14)18)8-11-6-7-13(17)9-16(11)19/h2-7,9,12,20H,8,10H2,1H3
InChIKeyIKZFKFUFJVJGNF-UHFFFAOYSA-N
MW356.67 g/mol
LogP4.79
Rot. Bonds5

About 3-(4-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-methylpropan-1-amine

3-(4-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-methylpropan-1-amine (PubChem CID 79449132) has the molecular formula C16H16BrClFN and a molecular weight of 356.67 g/mol. Its IUPAC name is 3-(4-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-methylpropan-1-amine
PubChem CID79449132
Molecular FormulaC16H16BrClFN
Molecular Weight356.67 g/mol
Exact Mass355.01
IUPAC Name3-(4-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(Br)cc1F)c1ccccc1Cl
InChIInChI=1S/C16H16BrClFN/c1-20-10-12(14-4-2-3-5-15(14)18)8-11-6-7-13(17)9-16(11)19/h2-7,9,12,20H,8,10H2,1H3
InChIKeyIKZFKFUFJVJGNF-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.67
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(4-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-methylpropan-1-amine (CID 79449132) is 3-(4-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(4-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(4-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-methylpropan-1-amine is CNCC(Cc1ccc(Br)cc1F)c1ccccc1Cl.
What is the InChIKey of 3-(4-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-methylpropan-1-amine?
The InChIKey is IKZFKFUFJVJGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFN/c1-20-10-12(14-4-2-3-5-15(14)18)8-11-6-7-13(17)9-16(11)19/h2-7,9,12,20H,8,10H2,1H3.
What are the key properties of 3-(4-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-methylpropan-1-amine?
3-(4-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-methylpropan-1-amine has a molecular weight of 356.67 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 79449132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).