2-(2-bromo-6-chloro-4-methylphenoxy)ethanamine

C9H11BrClNO — CID 84711241

IUPAC2-(2-bromo-6-chloro-4-methylphenoxy)ethanamine
SMILESCc1cc(Cl)c(OCCN)c(Br)c1
InChIInChI=1S/C9H11BrClNO/c1-6-4-7(10)9(8(11)5-6)13-3-2-12/h4-5H,2-3,12H2,1H3
InChIKeyIEIVSBRWTSZOBA-UHFFFAOYSA-N
MW264.55 g/mol
LogP2.75
Rot. Bonds3

About 2-(2-bromo-6-chloro-4-methylphenoxy)ethanamine

2-(2-bromo-6-chloro-4-methylphenoxy)ethanamine (PubChem CID 84711241) has the molecular formula C9H11BrClNO and a molecular weight of 264.55 g/mol. Its IUPAC name is 2-(2-bromo-6-chloro-4-methylphenoxy)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-6-chloro-4-methylphenoxy)ethanamine
PubChem CID84711241
Molecular FormulaC9H11BrClNO
Molecular Weight264.55 g/mol
Exact Mass262.97
IUPAC Name2-(2-bromo-6-chloro-4-methylphenoxy)ethanamine
SMILESCc1cc(Cl)c(OCCN)c(Br)c1
InChIInChI=1S/C9H11BrClNO/c1-6-4-7(10)9(8(11)5-6)13-3-2-12/h4-5H,2-3,12H2,1H3
InChIKeyIEIVSBRWTSZOBA-UHFFFAOYSA-N
XLogP2.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.55
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-chloro-6-methylphenoxy)ethanamine
CID 62599292
2-(3-chloro-2-methoxy-5-methylphenoxy)ethanamine
CID 84681449
2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]-N,N-dimethylethanamine
CID 2184438
1-[2-(2-bromo-6-chloro-4-methylphenoxy)ethyl]piperazine-1,4-diium
CID 7244695
1-[3-(2-bromo-6-chloro-4-methylphenoxy)propyl]pyrrolidine
CID 2299454
2-(2-bromo-6-chloro-4-methylphenoxy)-N,N-dimethylethanamine;oxalic acid
CID 2935678
4-(2-bromo-6-chloro-4-methylphenoxy)-N-(3-methoxypropyl)butan-1-amine
CID 2299297
2-(2-bromo-6-chloro-4-methylphenoxy)acetohydrazide
CID 54793109
1-[4-(2-bromo-6-chloro-4-methylphenoxy)butyl]-4-ethylpiperazine
CID 2961137
N-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]butan-2-amine
CID 2935222
(3S,5S)-1-[3-(2-bromo-6-chloro-4-methylphenoxy)propyl]-3,5-dimethylpiperidin-1-ium
CID 7412941
(3S,5S)-1-[3-(2-bromo-6-chloro-4-methylphenoxy)propyl]-3,5-dimethylpiperidine
CID 7412942

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-chloro-4-methylphenoxy)ethanamine?
The IUPAC name of 2-(2-bromo-6-chloro-4-methylphenoxy)ethanamine (CID 84711241) is 2-(2-bromo-6-chloro-4-methylphenoxy)ethanamine.
What is the SMILES notation for 2-(2-bromo-6-chloro-4-methylphenoxy)ethanamine?
The canonical SMILES for 2-(2-bromo-6-chloro-4-methylphenoxy)ethanamine is Cc1cc(Cl)c(OCCN)c(Br)c1.
What is the InChIKey of 2-(2-bromo-6-chloro-4-methylphenoxy)ethanamine?
The InChIKey is IEIVSBRWTSZOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO/c1-6-4-7(10)9(8(11)5-6)13-3-2-12/h4-5H,2-3,12H2,1H3.
What are the key properties of 2-(2-bromo-6-chloro-4-methylphenoxy)ethanamine?
2-(2-bromo-6-chloro-4-methylphenoxy)ethanamine has a molecular weight of 264.55 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-chloro-4-methylphenoxy)ethanamine is sourced from PubChem (CID 84711241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).