5-bromo-2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]aniline

C11H11BrN4O3 — CID 65431100

IUPAC5-bromo-2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]aniline
SMILESCOc1nc(OC)nc(Oc2ccc(Br)cc2N)n1
InChIInChI=1S/C11H11BrN4O3/c1-17-9-14-10(18-2)16-11(15-9)19-8-4-3-6(12)5-7(8)13/h3-5H,13H2,1-2H3
InChIKeyBTAYKZQOMWAPKS-UHFFFAOYSA-N
MW327.14 g/mol
LogP2.03
Rot. Bonds4

About 5-bromo-2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]aniline

5-bromo-2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]aniline (PubChem CID 65431100) has the molecular formula C11H11BrN4O3 and a molecular weight of 327.14 g/mol. Its IUPAC name is 5-bromo-2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]aniline.

Molecular Properties

Compound Name5-bromo-2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]aniline
PubChem CID65431100
Molecular FormulaC11H11BrN4O3
Molecular Weight327.14 g/mol
Exact Mass326.00
IUPAC Name5-bromo-2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]aniline
SMILESCOc1nc(OC)nc(Oc2ccc(Br)cc2N)n1
InChIInChI=1S/C11H11BrN4O3/c1-17-9-14-10(18-2)16-11(15-9)19-8-4-3-6(12)5-7(8)13/h3-5H,13H2,1-2H3
InChIKeyBTAYKZQOMWAPKS-UHFFFAOYSA-N
XLogP2.03
TPSA92.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.14
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-(4-methoxyphenoxy)aniline
CID 26190467
2-chloro-4-(2,4-dibromophenoxy)-6-methoxy-1,3,5-triazine
CID 64718654
5-bromo-2-(4-bromo-2-methylphenoxy)aniline
CID 63457786
4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80879229
5-bromo-2-[(5-bromo-6-methyl-2-pyridinyl)oxy]aniline
CID 114047333
5-bromo-2-[(3-chloro-2-pyridinyl)oxy]aniline
CID 65429796
4-(5-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 107287620
6-(2,4-dibromophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80877262
[4-(2-bromo-4-methoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 104708873
5-bromo-2-(3-bromophenoxy)aniline
CID 29030936
2-(5-bromo-2,3-difluorophenoxy)-4,6-dimethoxy-1,3,5-triazine
CID 107099157
5-bromo-2-pyridin-3-yloxyaniline
CID 26190498

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]aniline?
The IUPAC name of 5-bromo-2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]aniline (CID 65431100) is 5-bromo-2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]aniline.
What is the SMILES notation for 5-bromo-2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]aniline?
The canonical SMILES for 5-bromo-2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]aniline is COc1nc(OC)nc(Oc2ccc(Br)cc2N)n1.
What is the InChIKey of 5-bromo-2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]aniline?
The InChIKey is BTAYKZQOMWAPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O3/c1-17-9-14-10(18-2)16-11(15-9)19-8-4-3-6(12)5-7(8)13/h3-5H,13H2,1-2H3.
What are the key properties of 5-bromo-2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]aniline?
5-bromo-2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]aniline has a molecular weight of 327.14 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]aniline is sourced from PubChem (CID 65431100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).