3-(2,5-dibromo-4-methoxyphenoxy)-5-methylaniline

C14H13Br2NO2 — CID 112648518

IUPAC3-(2,5-dibromo-4-methoxyphenoxy)-5-methylaniline
SMILESCOc1cc(Br)c(Oc2cc(C)cc(N)c2)cc1Br
InChIInChI=1S/C14H13Br2NO2/c1-8-3-9(17)5-10(4-8)19-14-7-11(15)13(18-2)6-12(14)16/h3-7H,17H2,1-2H3
InChIKeyQQGBVSXGLWNVSI-UHFFFAOYSA-N
MW387.07 g/mol
LogP4.90
Rot. Bonds3

About 3-(2,5-dibromo-4-methoxyphenoxy)-5-methylaniline

3-(2,5-dibromo-4-methoxyphenoxy)-5-methylaniline (PubChem CID 112648518) has the molecular formula C14H13Br2NO2 and a molecular weight of 387.07 g/mol. Its IUPAC name is 3-(2,5-dibromo-4-methoxyphenoxy)-5-methylaniline.

Molecular Properties

Compound Name3-(2,5-dibromo-4-methoxyphenoxy)-5-methylaniline
PubChem CID112648518
Molecular FormulaC14H13Br2NO2
Molecular Weight387.07 g/mol
Exact Mass384.93
IUPAC Name3-(2,5-dibromo-4-methoxyphenoxy)-5-methylaniline
SMILESCOc1cc(Br)c(Oc2cc(C)cc(N)c2)cc1Br
InChIInChI=1S/C14H13Br2NO2/c1-8-3-9(17)5-10(4-8)19-14-7-11(15)13(18-2)6-12(14)16/h3-7H,17H2,1-2H3
InChIKeyQQGBVSXGLWNVSI-UHFFFAOYSA-N
XLogP4.90
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.07
LogP ≤ 54.90
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

3-(2,5-dibromo-4-methoxyphenoxy)-5-fluoroaniline
CID 80752207
3-[3-(3-amino-5-methylphenoxy)phenoxy]-5-methylaniline
CID 19762800
3-(3,5-dichlorophenoxy)-5-methylaniline
CID 112648434
3-(3,5-difluorophenoxy)-5-methylaniline
CID 112648476
3-(6-bromonaphthalen-2-yl)oxy-5-methylaniline
CID 115980929
3-(4-chloro-2-methylphenoxy)-5-methylaniline
CID 112648317
1-[2-amino-5-(2,5-dibromo-4-methoxyphenoxy)phenyl]ethanone
CID 104613341
3-(2-bromo-4-methylphenoxy)-5-ethoxyaniline
CID 80748837
6-bromo-4-methoxy-2,3-dimethylaniline
CID 151145179
3-(4-bromo-2-methylphenoxy)-5-methoxyaniline
CID 80749253
3-(2-ethylphenoxy)-5-methylaniline
CID 112648419
[4-(2,5-dibromo-4-methoxyphenoxy)phenyl]methanol
CID 79403220

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dibromo-4-methoxyphenoxy)-5-methylaniline?
The IUPAC name of 3-(2,5-dibromo-4-methoxyphenoxy)-5-methylaniline (CID 112648518) is 3-(2,5-dibromo-4-methoxyphenoxy)-5-methylaniline.
What is the SMILES notation for 3-(2,5-dibromo-4-methoxyphenoxy)-5-methylaniline?
The canonical SMILES for 3-(2,5-dibromo-4-methoxyphenoxy)-5-methylaniline is COc1cc(Br)c(Oc2cc(C)cc(N)c2)cc1Br.
What is the InChIKey of 3-(2,5-dibromo-4-methoxyphenoxy)-5-methylaniline?
The InChIKey is QQGBVSXGLWNVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO2/c1-8-3-9(17)5-10(4-8)19-14-7-11(15)13(18-2)6-12(14)16/h3-7H,17H2,1-2H3.
What are the key properties of 3-(2,5-dibromo-4-methoxyphenoxy)-5-methylaniline?
3-(2,5-dibromo-4-methoxyphenoxy)-5-methylaniline has a molecular weight of 387.07 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dibromo-4-methoxyphenoxy)-5-methylaniline is sourced from PubChem (CID 112648518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).