2-(2-bromo-4-methoxyphenoxy)-5-chloroaniline

C13H11BrClNO2 — CID 113443527

IUPAC2-(2-bromo-4-methoxyphenoxy)-5-chloroaniline
SMILESCOc1ccc(Oc2ccc(Cl)cc2N)c(Br)c1
InChIInChI=1S/C13H11BrClNO2/c1-17-9-3-5-12(10(14)7-9)18-13-4-2-8(15)6-11(13)16/h2-7H,16H2,1H3
InChIKeyROELWTFQBHYEOW-UHFFFAOYSA-N
MW328.59 g/mol
LogP4.49
Rot. Bonds3

About 2-(2-bromo-4-methoxyphenoxy)-5-chloroaniline

2-(2-bromo-4-methoxyphenoxy)-5-chloroaniline (PubChem CID 113443527) has the molecular formula C13H11BrClNO2 and a molecular weight of 328.59 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenoxy)-5-chloroaniline.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenoxy)-5-chloroaniline
PubChem CID113443527
Molecular FormulaC13H11BrClNO2
Molecular Weight328.59 g/mol
Exact Mass326.97
IUPAC Name2-(2-bromo-4-methoxyphenoxy)-5-chloroaniline
SMILESCOc1ccc(Oc2ccc(Cl)cc2N)c(Br)c1
InChIInChI=1S/C13H11BrClNO2/c1-17-9-3-5-12(10(14)7-9)18-13-4-2-8(15)6-11(13)16/h2-7H,16H2,1H3
InChIKeyROELWTFQBHYEOW-UHFFFAOYSA-N
XLogP4.49
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.59
LogP ≤ 54.49
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-methoxyphenoxy)-4,5-dimethoxyaniline
CID 104706561
2-(2-amino-4-chlorophenoxy)-4-methoxybenzonitrile
CID 81302575
2-(2-bromo-4-chlorophenoxy)-5-methylaniline
CID 43349571
5-bromo-2-(2-bromo-4-chlorophenoxy)aniline
CID 29302429
2-(2-bromo-4-methoxyphenoxy)-5-chlorobenzoic acid
CID 104706931
3-amino-4-(2-bromo-4-methoxyphenoxy)benzoic acid
CID 104708160
4-(2-amino-4-methoxyphenoxy)-3-bromobenzonitrile
CID 82809083
2-(2-bromo-4-methoxyphenoxy)-4-fluoro-5-iodoaniline
CID 104706508
1-[3-amino-4-(2-bromo-4-chlorophenoxy)phenyl]ethanone
CID 170632658
5-chloro-2-methoxyaniline;hydron;chloride
CID 164511506
4-(2-bromo-4-methoxyphenoxy)-3-iodoaniline
CID 113443529
2-(2-bromo-4-methylphenoxy)-4-chloroaniline
CID 113315875

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-5-chloroaniline?
The IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-5-chloroaniline (CID 113443527) is 2-(2-bromo-4-methoxyphenoxy)-5-chloroaniline.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenoxy)-5-chloroaniline?
The canonical SMILES for 2-(2-bromo-4-methoxyphenoxy)-5-chloroaniline is COc1ccc(Oc2ccc(Cl)cc2N)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methoxyphenoxy)-5-chloroaniline?
The InChIKey is ROELWTFQBHYEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO2/c1-17-9-3-5-12(10(14)7-9)18-13-4-2-8(15)6-11(13)16/h2-7H,16H2,1H3.
What are the key properties of 2-(2-bromo-4-methoxyphenoxy)-5-chloroaniline?
2-(2-bromo-4-methoxyphenoxy)-5-chloroaniline has a molecular weight of 328.59 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenoxy)-5-chloroaniline is sourced from PubChem (CID 113443527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).