2-(5-bromo-2-methylphenoxy)-4-methoxyaniline

C14H14BrNO2 — CID 107283339

IUPAC2-(5-bromo-2-methylphenoxy)-4-methoxyaniline
SMILESCOc1ccc(N)c(Oc2cc(Br)ccc2C)c1
InChIInChI=1S/C14H14BrNO2/c1-9-3-4-10(15)7-13(9)18-14-8-11(17-2)5-6-12(14)16/h3-8H,16H2,1-2H3
InChIKeyYAQZRHJJTCLEII-UHFFFAOYSA-N
MW308.18 g/mol
LogP4.14
Rot. Bonds3

About 2-(5-bromo-2-methylphenoxy)-4-methoxyaniline

2-(5-bromo-2-methylphenoxy)-4-methoxyaniline (PubChem CID 107283339) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 2-(5-bromo-2-methylphenoxy)-4-methoxyaniline.

Molecular Properties

Compound Name2-(5-bromo-2-methylphenoxy)-4-methoxyaniline
PubChem CID107283339
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name2-(5-bromo-2-methylphenoxy)-4-methoxyaniline
SMILESCOc1ccc(N)c(Oc2cc(Br)ccc2C)c1
InChIInChI=1S/C14H14BrNO2/c1-9-3-4-10(15)7-13(9)18-14-8-11(17-2)5-6-12(14)16/h3-8H,16H2,1-2H3
InChIKeyYAQZRHJJTCLEII-UHFFFAOYSA-N
XLogP4.14
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-3-methylphenoxy)-4-methoxyaniline
CID 83133415
4-(5-bromo-2-methylphenoxy)-2-propoxyaniline
CID 107283362
4-bromo-2-(4-methylphenoxy)aniline
CID 65342479
4-bromo-2-(2,5-dibromo-4-methoxyphenoxy)aniline
CID 79415483
4-bromo-2-(2,3,6-trimethylphenoxy)aniline
CID 65342539
4-(4-bromophenoxy)-2-methoxyaniline
CID 55234373
4-(6-bromonaphthalen-2-yl)oxy-2-methoxyaniline
CID 63675945
4-bromo-2-(4-chloro-2-methylphenoxy)aniline
CID 65342319
2-(3,4-dimethoxyphenoxy)-4-methoxyaniline
CID 123638335
3-bromo-4-(5-bromo-2-methylphenoxy)aniline
CID 107283299
5-bromo-2-(4-methoxyphenoxy)aniline
CID 26190467
4-bromo-2-(4-propan-2-ylphenoxy)aniline
CID 65342696

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylphenoxy)-4-methoxyaniline?
The IUPAC name of 2-(5-bromo-2-methylphenoxy)-4-methoxyaniline (CID 107283339) is 2-(5-bromo-2-methylphenoxy)-4-methoxyaniline.
What is the SMILES notation for 2-(5-bromo-2-methylphenoxy)-4-methoxyaniline?
The canonical SMILES for 2-(5-bromo-2-methylphenoxy)-4-methoxyaniline is COc1ccc(N)c(Oc2cc(Br)ccc2C)c1.
What is the InChIKey of 2-(5-bromo-2-methylphenoxy)-4-methoxyaniline?
The InChIKey is YAQZRHJJTCLEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-9-3-4-10(15)7-13(9)18-14-8-11(17-2)5-6-12(14)16/h3-8H,16H2,1-2H3.
What are the key properties of 2-(5-bromo-2-methylphenoxy)-4-methoxyaniline?
2-(5-bromo-2-methylphenoxy)-4-methoxyaniline has a molecular weight of 308.18 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methylphenoxy)-4-methoxyaniline is sourced from PubChem (CID 107283339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).