2-(5-bromo-4-chloro-2-methylphenyl)ethanamine

C9H11BrClN — CID 84803605

IUPAC2-(5-bromo-4-chloro-2-methylphenyl)ethanamine
SMILESCc1cc(Cl)c(Br)cc1CCN
InChIInChI=1S/C9H11BrClN/c1-6-4-9(11)8(10)5-7(6)2-3-12/h4-5H,2-3,12H2,1H3
InChIKeyKCPLZNZOHHJASE-UHFFFAOYSA-N
MW248.55 g/mol
LogP2.91
Rot. Bonds2

About 2-(5-bromo-4-chloro-2-methylphenyl)ethanamine

2-(5-bromo-4-chloro-2-methylphenyl)ethanamine (PubChem CID 84803605) has the molecular formula C9H11BrClN and a molecular weight of 248.55 g/mol. Its IUPAC name is 2-(5-bromo-4-chloro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-4-chloro-2-methylphenyl)ethanamine
PubChem CID84803605
Molecular FormulaC9H11BrClN
Molecular Weight248.55 g/mol
Exact Mass246.98
IUPAC Name2-(5-bromo-4-chloro-2-methylphenyl)ethanamine
SMILESCc1cc(Cl)c(Br)cc1CCN
InChIInChI=1S/C9H11BrClN/c1-6-4-9(11)8(10)5-7(6)2-3-12/h4-5H,2-3,12H2,1H3
InChIKeyKCPLZNZOHHJASE-UHFFFAOYSA-N
XLogP2.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.55
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(5-bromo-4-chloro-2-methylphenyl)propan-1-amine
CID 84807112
2-(4-chloro-5-methoxy-2-methylphenyl)ethanamine
CID 59994499
5-(2-aminoethyl)-2-bromo-4-methylphenol
CID 84793488
2-(2,4,5-trimethylphenyl)ethanamine;hydrochloride
CID 54602364
1,5-dibromo-2-chloro-4-methylbenzene
CID 18927059
2-(4-chloro-2-methylphenyl)ethanamine;hydrochloride
CID 71089492
5-(3-aminopropyl)-2-chloro-4-methylphenol
CID 84775584
3-(4-bromo-2,5-dimethylphenyl)propan-1-amine
CID 84801554
2-[2-(4-chloro-2,5-dimethylphenyl)ethoxy]ethanamine
CID 65305515
(4-chloro-2,5-dimethylphenyl)methanamine
CID 22980871
2-(3-bromo-4-chlorophenyl)ethanamine
CID 68561444
1-bromo-2-chloro-5-isocyano-4-methylbenzene
CID 167421152

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-chloro-2-methylphenyl)ethanamine?
The IUPAC name of 2-(5-bromo-4-chloro-2-methylphenyl)ethanamine (CID 84803605) is 2-(5-bromo-4-chloro-2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-4-chloro-2-methylphenyl)ethanamine?
The canonical SMILES for 2-(5-bromo-4-chloro-2-methylphenyl)ethanamine is Cc1cc(Cl)c(Br)cc1CCN.
What is the InChIKey of 2-(5-bromo-4-chloro-2-methylphenyl)ethanamine?
The InChIKey is KCPLZNZOHHJASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClN/c1-6-4-9(11)8(10)5-7(6)2-3-12/h4-5H,2-3,12H2,1H3.
What are the key properties of 2-(5-bromo-4-chloro-2-methylphenyl)ethanamine?
2-(5-bromo-4-chloro-2-methylphenyl)ethanamine has a molecular weight of 248.55 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-chloro-2-methylphenyl)ethanamine is sourced from PubChem (CID 84803605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).