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

C14H14BrNO2 — CID 55232767

IUPAC4-(2-bromo-4-methylphenoxy)-2-methoxyaniline
SMILESCOc1cc(Oc2ccc(C)cc2Br)ccc1N
InChIInChI=1S/C14H14BrNO2/c1-9-3-6-13(11(15)7-9)18-10-4-5-12(16)14(8-10)17-2/h3-8H,16H2,1-2H3
InChIKeyCBTHJDLZIHEZSR-UHFFFAOYSA-N
MW308.18 g/mol
LogP4.14
Rot. Bonds3

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

4-(2-bromo-4-methylphenoxy)-2-methoxyaniline (PubChem CID 55232767) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 4-(2-bromo-4-methylphenoxy)-2-methoxyaniline.

Molecular Properties

Compound Name4-(2-bromo-4-methylphenoxy)-2-methoxyaniline
PubChem CID55232767
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name4-(2-bromo-4-methylphenoxy)-2-methoxyaniline
SMILESCOc1cc(Oc2ccc(C)cc2Br)ccc1N
InChIInChI=1S/C14H14BrNO2/c1-9-3-6-13(11(15)7-9)18-10-4-5-12(16)14(8-10)17-2/h3-8H,16H2,1-2H3
InChIKeyCBTHJDLZIHEZSR-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-(2-bromo-4-methylphenoxy)-4,5-dimethoxyaniline
CID 83008306
4-(4-bromophenoxy)-2-methoxyaniline
CID 55234373
2-amino-4-(2-bromo-4-methylphenoxy)benzenesulfonamide
CID 79467353
2-(2-bromo-4-methylphenoxy)-4-chloroaniline
CID 113315875
2-(4-bromo-3-methylphenoxy)-4-methoxyaniline
CID 83133415
2-(3,4-dimethoxyphenoxy)-4-methoxyaniline
CID 123638335
5-(2-bromo-4-methylphenoxy)-2-nitroaniline
CID 106751987
2-(3-bromo-4-fluorophenoxy)-5-methylaniline
CID 83231708
4-(3-amino-4-methoxyphenoxy)-3-bromobenzonitrile
CID 103202022
2-[3-bromo-4-(trifluoromethoxy)phenoxy]-5-methylaniline
CID 102713939
2-bromo-1-(4-fluorophenoxy)-4-methylbenzene
CID 59982340
4-(6-bromonaphthalen-2-yl)oxy-2-methoxyaniline
CID 63675945

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methylphenoxy)-2-methoxyaniline?
The IUPAC name of 4-(2-bromo-4-methylphenoxy)-2-methoxyaniline (CID 55232767) is 4-(2-bromo-4-methylphenoxy)-2-methoxyaniline.
What is the SMILES notation for 4-(2-bromo-4-methylphenoxy)-2-methoxyaniline?
The canonical SMILES for 4-(2-bromo-4-methylphenoxy)-2-methoxyaniline is COc1cc(Oc2ccc(C)cc2Br)ccc1N.
What is the InChIKey of 4-(2-bromo-4-methylphenoxy)-2-methoxyaniline?
The InChIKey is CBTHJDLZIHEZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-9-3-6-13(11(15)7-9)18-10-4-5-12(16)14(8-10)17-2/h3-8H,16H2,1-2H3.
What are the key properties of 4-(2-bromo-4-methylphenoxy)-2-methoxyaniline?
4-(2-bromo-4-methylphenoxy)-2-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 4-(2-bromo-4-methylphenoxy)-2-methoxyaniline is sourced from PubChem (CID 55232767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).