2-(2-bromo-6-chlorophenyl)propan-2-amine

C9H11BrClN — CID 117374734

IUPAC2-(2-bromo-6-chlorophenyl)propan-2-amine
SMILESCC(C)(N)c1c(Cl)cccc1Br
InChIInChI=1S/C9H11BrClN/c1-9(2,12)8-6(10)4-3-5-7(8)11/h3-5H,12H2,1-2H3
InChIKeyJRIVFBPLNWWYCU-UHFFFAOYSA-N
MW248.55 g/mol
LogP3.30
Rot. Bonds1

About 2-(2-bromo-6-chlorophenyl)propan-2-amine

2-(2-bromo-6-chlorophenyl)propan-2-amine (PubChem CID 117374734) has the molecular formula C9H11BrClN and a molecular weight of 248.55 g/mol. Its IUPAC name is 2-(2-bromo-6-chlorophenyl)propan-2-amine.

Molecular Properties

Compound Name2-(2-bromo-6-chlorophenyl)propan-2-amine
PubChem CID117374734
Molecular FormulaC9H11BrClN
Molecular Weight248.55 g/mol
Exact Mass246.98
IUPAC Name2-(2-bromo-6-chlorophenyl)propan-2-amine
SMILESCC(C)(N)c1c(Cl)cccc1Br
InChIInChI=1S/C9H11BrClN/c1-9(2,12)8-6(10)4-3-5-7(8)11/h3-5H,12H2,1-2H3
InChIKeyJRIVFBPLNWWYCU-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

2-(2-Bromophenyl)propan-2-amine
CID 11195239
(R)-1-(4-Bromo-2-chlorophenyl)ethan-1-amine hydrochloride
CID 155288058
(1r)-1-(2-Bromo-5-chlorophenyl)ethan-1-amine
CID 121362439
(1R)-1-(2-bromo-4-chlorophenyl)ethan-1-amine hydrochloride
CID 139022361
(1S)-1-(2-bromo-4-chlorophenyl)ethan-1-amine hydrochloride
CID 139022363
1-(2-Bromophenyl)-2-(2-chloro-6-fluorophenyl)ethan-1-amine
CID 54594869
1-[(2-Bromo-4-chloro-3-fluorophenyl)methyl]cyclopropan-1-amine
CID 117446804
1-(4-Bromo-3-chlorophenyl)cyclopropan-1-amine
CID 129954263
(1R)-1-(4-bromo-2-chloro-3-fluorophenyl)ethanamine
CID 153295545
2-(2-Bromo-5-chlorophenyl)propan-2-amine
CID 83726022
2-(2-Bromophenyl)butan-2-amine
CID 43810195
1-(2-Bromo-6-chlorophenyl)ethan-1-amine
CID 84698107

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-chlorophenyl)propan-2-amine?
The IUPAC name of 2-(2-bromo-6-chlorophenyl)propan-2-amine (CID 117374734) is 2-(2-bromo-6-chlorophenyl)propan-2-amine.
What is the SMILES notation for 2-(2-bromo-6-chlorophenyl)propan-2-amine?
The canonical SMILES for 2-(2-bromo-6-chlorophenyl)propan-2-amine is CC(C)(N)c1c(Cl)cccc1Br.
What is the InChIKey of 2-(2-bromo-6-chlorophenyl)propan-2-amine?
The InChIKey is JRIVFBPLNWWYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClN/c1-9(2,12)8-6(10)4-3-5-7(8)11/h3-5H,12H2,1-2H3.
What are the key properties of 2-(2-bromo-6-chlorophenyl)propan-2-amine?
2-(2-bromo-6-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-(2-bromo-6-chlorophenyl)propan-2-amine is sourced from PubChem (CID 117374734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).