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

C9H11BrClNO — CID 62599292

IUPAC2-(4-bromo-2-chloro-6-methylphenoxy)ethanamine
SMILESCc1cc(Br)cc(Cl)c1OCCN
InChIInChI=1S/C9H11BrClNO/c1-6-4-7(10)5-8(11)9(6)13-3-2-12/h4-5H,2-3,12H2,1H3
InChIKeyVVLJJJWVAMWMBN-UHFFFAOYSA-N
MW264.55 g/mol
LogP2.75
Rot. Bonds3

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

2-(4-bromo-2-chloro-6-methylphenoxy)ethanamine (PubChem CID 62599292) has the molecular formula C9H11BrClNO and a molecular weight of 264.55 g/mol. Its IUPAC name is 2-(4-bromo-2-chloro-6-methylphenoxy)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-chloro-6-methylphenoxy)ethanamine
PubChem CID62599292
Molecular FormulaC9H11BrClNO
Molecular Weight264.55 g/mol
Exact Mass262.97
IUPAC Name2-(4-bromo-2-chloro-6-methylphenoxy)ethanamine
SMILESCc1cc(Br)cc(Cl)c1OCCN
InChIInChI=1S/C9H11BrClNO/c1-6-4-7(10)5-8(11)9(6)13-3-2-12/h4-5H,2-3,12H2,1H3
InChIKeyVVLJJJWVAMWMBN-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-(2-bromo-6-chloro-4-methylphenoxy)ethanamine
CID 84711241
4-(4-bromo-2-chloro-6-methylphenoxy)butanoic acid
CID 43351509
5-bromo-2-[4-(4-bromo-2,6-dimethylphenoxy)butoxy]-1,3-dimethylbenzene
CID 58759064
N-[2-(4-bromo-2-chloro-6-methylphenoxy)ethyl]-5-methylhexan-2-amine
CID 63515570
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(dicyclopropylmethyl)ethanamine
CID 63515400
5-bromo-1,3-dichloro-2-(3-chloropropoxy)benzene
CID 148761209
2-(4-bromo-2-chloro-6-methylphenoxy)-1-cyclopropylethanone
CID 63903259
4-(4-bromo-2-chloro-6-methylphenoxy)-2-methylbut-2-enoic acid
CID 77075772
2-(3-chloro-2-methoxy-5-methylphenoxy)ethanamine
CID 84681449
(4-bromo-2-chloro-6-methylphenyl) acetate
CID 130685721
2-(4-bromo-2-chloro-6-methylphenoxy)-1-(2-methylphenyl)ethanone
CID 63567782
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 7233561

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chloro-6-methylphenoxy)ethanamine?
The IUPAC name of 2-(4-bromo-2-chloro-6-methylphenoxy)ethanamine (CID 62599292) is 2-(4-bromo-2-chloro-6-methylphenoxy)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-chloro-6-methylphenoxy)ethanamine?
The canonical SMILES for 2-(4-bromo-2-chloro-6-methylphenoxy)ethanamine is Cc1cc(Br)cc(Cl)c1OCCN.
What is the InChIKey of 2-(4-bromo-2-chloro-6-methylphenoxy)ethanamine?
The InChIKey is VVLJJJWVAMWMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO/c1-6-4-7(10)5-8(11)9(6)13-3-2-12/h4-5H,2-3,12H2,1H3.
What are the key properties of 2-(4-bromo-2-chloro-6-methylphenoxy)ethanamine?
2-(4-bromo-2-chloro-6-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-(4-bromo-2-chloro-6-methylphenoxy)ethanamine is sourced from PubChem (CID 62599292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).