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

C15H16BrNO3 — CID 83008306

IUPAC2-(2-bromo-4-methylphenoxy)-4,5-dimethoxyaniline
SMILESCOc1cc(N)c(Oc2ccc(C)cc2Br)cc1OC
InChIInChI=1S/C15H16BrNO3/c1-9-4-5-12(10(16)6-9)20-13-8-15(19-3)14(18-2)7-11(13)17/h4-8H,17H2,1-3H3
InChIKeyDJEFPICOSXNONZ-UHFFFAOYSA-N
MW338.20 g/mol
LogP4.15
Rot. Bonds4

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

2-(2-bromo-4-methylphenoxy)-4,5-dimethoxyaniline (PubChem CID 83008306) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-4,5-dimethoxyaniline.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-4,5-dimethoxyaniline
PubChem CID83008306
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Name2-(2-bromo-4-methylphenoxy)-4,5-dimethoxyaniline
SMILESCOc1cc(N)c(Oc2ccc(C)cc2Br)cc1OC
InChIInChI=1S/C15H16BrNO3/c1-9-4-5-12(10(16)6-9)20-13-8-15(19-3)14(18-2)7-11(13)17/h4-8H,17H2,1-3H3
InChIKeyDJEFPICOSXNONZ-UHFFFAOYSA-N
XLogP4.15
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
4-(2-bromo-4-methylphenoxy)-2-methoxyaniline
CID 55232767
2-(2-bromo-4-methylphenoxy)-5-iodoaniline
CID 66079971
2-(2-bromo-4-methylphenoxy)-4-chloroaniline
CID 113315875
2-(2-bromo-4-methylphenoxy)-5-fluoro-4-propan-2-yloxyaniline
CID 63593881
2-(2-bromo-4-chlorophenoxy)-5-methylaniline
CID 43349571
2-(2-bromo-4-methylphenoxy)-5-fluoro-4-propoxyaniline
CID 63593727
4-(2-bromo-4-methylphenoxy)-2-chloro-5-methylaniline
CID 113334445
2-(4-fluoro-2-methylphenoxy)-4,5-dimethoxyaniline
CID 83008312
O-(2-methoxy-4-methylphenyl)hydroxylamine
CID 56611281
3-amino-4-(2-bromo-4-methylphenoxy)-N,N-dimethylbenzamide
CID 82989678
5-amino-2-(2-bromo-4-methylphenoxy)benzoic acid
CID 54888290

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-4,5-dimethoxyaniline?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-4,5-dimethoxyaniline (CID 83008306) is 2-(2-bromo-4-methylphenoxy)-4,5-dimethoxyaniline.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-4,5-dimethoxyaniline?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-4,5-dimethoxyaniline is COc1cc(N)c(Oc2ccc(C)cc2Br)cc1OC.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-4,5-dimethoxyaniline?
The InChIKey is DJEFPICOSXNONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3/c1-9-4-5-12(10(16)6-9)20-13-8-15(19-3)14(18-2)7-11(13)17/h4-8H,17H2,1-3H3.
What are the key properties of 2-(2-bromo-4-methylphenoxy)-4,5-dimethoxyaniline?
2-(2-bromo-4-methylphenoxy)-4,5-dimethoxyaniline has a molecular weight of 338.20 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-4,5-dimethoxyaniline is sourced from PubChem (CID 83008306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).