2-(2-bromo-4-methoxyphenoxy)-4,5-dimethoxyaniline

C15H16BrNO4 — CID 104706561

IUPAC2-(2-bromo-4-methoxyphenoxy)-4,5-dimethoxyaniline
SMILESCOc1ccc(Oc2cc(OC)c(OC)cc2N)c(Br)c1
InChIInChI=1S/C15H16BrNO4/c1-18-9-4-5-12(10(16)6-9)21-13-8-15(20-3)14(19-2)7-11(13)17/h4-8H,17H2,1-3H3
InChIKeyNKCWMPWSQLWHAA-UHFFFAOYSA-N
MW354.20 g/mol
LogP3.85
Rot. Bonds5

About 2-(2-bromo-4-methoxyphenoxy)-4,5-dimethoxyaniline

2-(2-bromo-4-methoxyphenoxy)-4,5-dimethoxyaniline (PubChem CID 104706561) has the molecular formula C15H16BrNO4 and a molecular weight of 354.20 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenoxy)-4,5-dimethoxyaniline.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenoxy)-4,5-dimethoxyaniline
PubChem CID104706561
Molecular FormulaC15H16BrNO4
Molecular Weight354.20 g/mol
Exact Mass353.03
IUPAC Name2-(2-bromo-4-methoxyphenoxy)-4,5-dimethoxyaniline
SMILESCOc1ccc(Oc2cc(OC)c(OC)cc2N)c(Br)c1
InChIInChI=1S/C15H16BrNO4/c1-18-9-4-5-12(10(16)6-9)21-13-8-15(20-3)14(19-2)7-11(13)17/h4-8H,17H2,1-3H3
InChIKeyNKCWMPWSQLWHAA-UHFFFAOYSA-N
XLogP3.85
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
2-(2-bromo-4-methoxyphenoxy)-5-chloroaniline
CID 113443527
2-(2-bromo-4-methoxyphenoxy)-4-fluoro-5-iodoaniline
CID 104706508
4-(2-amino-4-methoxyphenoxy)-3-bromobenzonitrile
CID 82809083
3-amino-4-(2-bromo-4-methoxyphenoxy)benzoic acid
CID 104708160
4-(2-bromo-4-methoxyphenoxy)-3-iodoaniline
CID 113443529
2-(3,4-dimethoxyphenoxy)-4-methoxyaniline
CID 123638335
5-amino-6-(2-bromo-4-methoxyphenoxy)-1,3-dihydroindol-2-one
CID 104706571
4-(2-bromo-4-methoxyphenoxy)-6-(trifluoromethyl)pyridin-3-amine
CID 106748562
2,5-dimethoxyaniline;molecular hydrogen
CID 159599481
(1S)-1-[3-bromo-4-(2-bromo-4-methoxyphenoxy)phenyl]ethanamine
CID 104707913
[4-(2-amino-4-methoxyphenoxy)-3-methoxyphenyl]methanol
CID 107742492

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-4,5-dimethoxyaniline?
The IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-4,5-dimethoxyaniline (CID 104706561) is 2-(2-bromo-4-methoxyphenoxy)-4,5-dimethoxyaniline.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenoxy)-4,5-dimethoxyaniline?
The canonical SMILES for 2-(2-bromo-4-methoxyphenoxy)-4,5-dimethoxyaniline is COc1ccc(Oc2cc(OC)c(OC)cc2N)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methoxyphenoxy)-4,5-dimethoxyaniline?
The InChIKey is NKCWMPWSQLWHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO4/c1-18-9-4-5-12(10(16)6-9)21-13-8-15(20-3)14(19-2)7-11(13)17/h4-8H,17H2,1-3H3.
What are the key properties of 2-(2-bromo-4-methoxyphenoxy)-4,5-dimethoxyaniline?
2-(2-bromo-4-methoxyphenoxy)-4,5-dimethoxyaniline has a molecular weight of 354.20 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenoxy)-4,5-dimethoxyaniline is sourced from PubChem (CID 104706561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).