1-(5-bromo-4-chloro-2-methylphenyl)ethanamine

C9H11BrClN — CID 84803604

IUPAC1-(5-bromo-4-chloro-2-methylphenyl)ethanamine
SMILESCc1cc(Cl)c(Br)cc1C(C)N
InChIInChI=1S/C9H11BrClN/c1-5-3-9(11)8(10)4-7(5)6(2)12/h3-4,6H,12H2,1-2H3
InChIKeyQQZZSOFFQQHTBN-UHFFFAOYSA-N
MW248.55 g/mol
LogP3.43
Rot. Bonds1

About 1-(5-bromo-4-chloro-2-methylphenyl)ethanamine

1-(5-bromo-4-chloro-2-methylphenyl)ethanamine (PubChem CID 84803604) has the molecular formula C9H11BrClN and a molecular weight of 248.55 g/mol. Its IUPAC name is 1-(5-bromo-4-chloro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-4-chloro-2-methylphenyl)ethanamine
PubChem CID84803604
Molecular FormulaC9H11BrClN
Molecular Weight248.55 g/mol
Exact Mass246.98
IUPAC Name1-(5-bromo-4-chloro-2-methylphenyl)ethanamine
SMILESCc1cc(Cl)c(Br)cc1C(C)N
InChIInChI=1S/C9H11BrClN/c1-5-3-9(11)8(10)4-7(5)6(2)12/h3-4,6H,12H2,1-2H3
InChIKeyQQZZSOFFQQHTBN-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-bromo-4-chloro-2-methylphenyl)propanenitrile
CID 84806025
1,5-dibromo-2-chloro-4-methylbenzene
CID 18927059
2-amino-1-(5-bromo-4-chloro-2-fluorophenyl)propan-1-ol
CID 84812511
(1R,2R)-1-amino-1-(2-amino-5-bromo-4-chlorophenyl)propan-2-ol
CID 130649240
2-amino-1-(4,5-dichloro-2-methylphenyl)propan-1-ol
CID 84796743
1-(5-bromo-2-methylphenyl)ethanamine
CID 82647898
1-(4-chloro-2-methylphenyl)ethanamine;ethane
CID 143031606
(1R)-1-(6-chloro-4-methyl-3-pyridinyl)ethanamine
CID 55275523
1-[4-(4-bromo-3-methylphenoxy)-2-chlorophenyl]ethanamine
CID 83140873
(1R,2S)-1-amino-1-(4-bromo-2,5-dimethylphenyl)propan-2-ol
CID 130730181
4-[(1R)-1-aminoethyl]-2,5-dimethylbenzonitrile
CID 131037934
(1S)-1-(4-chloro-2-fluoro-5-methylphenyl)ethanamine
CID 55255941

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-chloro-2-methylphenyl)ethanamine?
The IUPAC name of 1-(5-bromo-4-chloro-2-methylphenyl)ethanamine (CID 84803604) is 1-(5-bromo-4-chloro-2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(5-bromo-4-chloro-2-methylphenyl)ethanamine?
The canonical SMILES for 1-(5-bromo-4-chloro-2-methylphenyl)ethanamine is Cc1cc(Cl)c(Br)cc1C(C)N.
What is the InChIKey of 1-(5-bromo-4-chloro-2-methylphenyl)ethanamine?
The InChIKey is QQZZSOFFQQHTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClN/c1-5-3-9(11)8(10)4-7(5)6(2)12/h3-4,6H,12H2,1-2H3.
What are the key properties of 1-(5-bromo-4-chloro-2-methylphenyl)ethanamine?
1-(5-bromo-4-chloro-2-methylphenyl)ethanamine has a molecular weight of 248.55 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-chloro-2-methylphenyl)ethanamine is sourced from PubChem (CID 84803604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).