2-(4-bromo-3-chlorophenyl)propan-2-amine

C9H11BrClN — CID 83726011

IUPAC2-(4-bromo-3-chlorophenyl)propan-2-amine
SMILESCC(C)(N)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C9H11BrClN/c1-9(2,12)6-3-4-7(10)8(11)5-6/h3-5H,12H2,1-2H3
InChIKeyAAHQFXGXUFFSBR-UHFFFAOYSA-N
MW248.55 g/mol
LogP3.30
Rot. Bonds1

About 2-(4-bromo-3-chlorophenyl)propan-2-amine

2-(4-bromo-3-chlorophenyl)propan-2-amine (PubChem CID 83726011) has the molecular formula C9H11BrClN and a molecular weight of 248.55 g/mol. Its IUPAC name is 2-(4-bromo-3-chlorophenyl)propan-2-amine.

Molecular Properties

Compound Name2-(4-bromo-3-chlorophenyl)propan-2-amine
PubChem CID83726011
Molecular FormulaC9H11BrClN
Molecular Weight248.55 g/mol
Exact Mass246.98
IUPAC Name2-(4-bromo-3-chlorophenyl)propan-2-amine
SMILESCC(C)(N)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C9H11BrClN/c1-9(2,12)6-3-4-7(10)8(11)5-6/h3-5H,12H2,1-2H3
InChIKeyAAHQFXGXUFFSBR-UHFFFAOYSA-N
XLogP3.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.55
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-chlorophenyl)propan-2-amine?
The IUPAC name of 2-(4-bromo-3-chlorophenyl)propan-2-amine (CID 83726011) is 2-(4-bromo-3-chlorophenyl)propan-2-amine.
What is the SMILES notation for 2-(4-bromo-3-chlorophenyl)propan-2-amine?
The canonical SMILES for 2-(4-bromo-3-chlorophenyl)propan-2-amine is CC(C)(N)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 2-(4-bromo-3-chlorophenyl)propan-2-amine?
The InChIKey is AAHQFXGXUFFSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClN/c1-9(2,12)6-3-4-7(10)8(11)5-6/h3-5H,12H2,1-2H3.
What are the key properties of 2-(4-bromo-3-chlorophenyl)propan-2-amine?
2-(4-bromo-3-chlorophenyl)propan-2-amine has a molecular weight of 248.55 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-chlorophenyl)propan-2-amine is sourced from PubChem (CID 83726011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).