2-(5-bromo-2-chlorophenyl)propan-2-amine

C9H11BrClN — CID 83726005

IUPAC2-(5-bromo-2-chlorophenyl)propan-2-amine
SMILESCC(C)(N)c1cc(Br)ccc1Cl
InChIInChI=1S/C9H11BrClN/c1-9(2,12)7-5-6(10)3-4-8(7)11/h3-5H,12H2,1-2H3
InChIKeyXJTWAZFTUSGPSH-UHFFFAOYSA-N
MW248.55 g/mol
LogP3.30
Rot. Bonds1

About 2-(5-bromo-2-chlorophenyl)propan-2-amine

2-(5-bromo-2-chlorophenyl)propan-2-amine (PubChem CID 83726005) has the molecular formula C9H11BrClN and a molecular weight of 248.55 g/mol. Its IUPAC name is 2-(5-bromo-2-chlorophenyl)propan-2-amine.

Molecular Properties

Compound Name2-(5-bromo-2-chlorophenyl)propan-2-amine
PubChem CID83726005
Molecular FormulaC9H11BrClN
Molecular Weight248.55 g/mol
Exact Mass246.98
IUPAC Name2-(5-bromo-2-chlorophenyl)propan-2-amine
SMILESCC(C)(N)c1cc(Br)ccc1Cl
InChIInChI=1S/C9H11BrClN/c1-9(2,12)7-5-6(10)3-4-8(7)11/h3-5H,12H2,1-2H3
InChIKeyXJTWAZFTUSGPSH-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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Related Compounds

(5-Bromo-2-chlorophenyl)methanamine
CID 43378979
[(5-Bromo-2-chlorophenyl)methyl](methyl)amine
CID 43378980
2-(3-Bromophenyl)propan-2-amine hydrochloride
CID 53256543
(5-Bromo-2-chlorophenyl)methanamine hydrochloride
CID 67437601
(1r)-1-(2-Bromo-5-chlorophenyl)ethan-1-amine
CID 121362439
2-(3-Bromophenyl)hexan-2-amine
CID 62622557
1-(5-Bromo-2-chlorophenyl)ethan-1-amine hydrochloride
CID 122360018
1-(3-Bromophenyl)-1-methylethylamine
CID 13025666
1-(4-Bromo-3-chlorophenyl)cyclopropan-1-amine
CID 129954263
2-(2-Bromo-5-chlorophenyl)propan-2-amine
CID 83726022
1-(3-Bromophenyl)-3-methylcyclopent-3-en-1-amine
CID 11161076
1-(2-Bromo-6-chlorophenyl)ethan-1-amine
CID 84698107

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-chlorophenyl)propan-2-amine?
The IUPAC name of 2-(5-bromo-2-chlorophenyl)propan-2-amine (CID 83726005) is 2-(5-bromo-2-chlorophenyl)propan-2-amine.
What is the SMILES notation for 2-(5-bromo-2-chlorophenyl)propan-2-amine?
The canonical SMILES for 2-(5-bromo-2-chlorophenyl)propan-2-amine is CC(C)(N)c1cc(Br)ccc1Cl.
What is the InChIKey of 2-(5-bromo-2-chlorophenyl)propan-2-amine?
The InChIKey is XJTWAZFTUSGPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClN/c1-9(2,12)7-5-6(10)3-4-8(7)11/h3-5H,12H2,1-2H3.
What are the key properties of 2-(5-bromo-2-chlorophenyl)propan-2-amine?
2-(5-bromo-2-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-(5-bromo-2-chlorophenyl)propan-2-amine is sourced from PubChem (CID 83726005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).