4-(2-bromo-4-methylphenoxy)-6-chloro-5-fluorobenzene-1,3-diamine

C13H11BrClFN2O — CID 103553690

IUPAC4-(2-bromo-4-methylphenoxy)-6-chloro-5-fluorobenzene-1,3-diamine
SMILESCc1ccc(Oc2c(N)cc(N)c(Cl)c2F)c(Br)c1
InChIInChI=1S/C13H11BrClFN2O/c1-6-2-3-10(7(14)4-6)19-13-9(18)5-8(17)11(15)12(13)16/h2-5H,17-18H2,1H3
InChIKeyHNUZNAGTMRNMCU-UHFFFAOYSA-N
MW345.60 g/mol
LogP4.51
Rot. Bonds2

About 4-(2-bromo-4-methylphenoxy)-6-chloro-5-fluorobenzene-1,3-diamine

4-(2-bromo-4-methylphenoxy)-6-chloro-5-fluorobenzene-1,3-diamine (PubChem CID 103553690) has the molecular formula C13H11BrClFN2O and a molecular weight of 345.60 g/mol. Its IUPAC name is 4-(2-bromo-4-methylphenoxy)-6-chloro-5-fluorobenzene-1,3-diamine.

Molecular Properties

Compound Name4-(2-bromo-4-methylphenoxy)-6-chloro-5-fluorobenzene-1,3-diamine
PubChem CID103553690
Molecular FormulaC13H11BrClFN2O
Molecular Weight345.60 g/mol
Exact Mass343.97
IUPAC Name4-(2-bromo-4-methylphenoxy)-6-chloro-5-fluorobenzene-1,3-diamine
SMILESCc1ccc(Oc2c(N)cc(N)c(Cl)c2F)c(Br)c1
InChIInChI=1S/C13H11BrClFN2O/c1-6-2-3-10(7(14)4-6)19-13-9(18)5-8(17)11(15)12(13)16/h2-5H,17-18H2,1H3
InChIKeyHNUZNAGTMRNMCU-UHFFFAOYSA-N
XLogP4.51
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.60
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-bromophenoxy)-6-chloro-5-fluorobenzene-1,3-diamine
CID 103553635
2-(2-bromo-4-methylphenoxy)-4-chloroaniline
CID 113315875
4-(2-bromo-4-methylphenoxy)-2-chloro-5-methylaniline
CID 113334445
2-(2-bromo-4-chlorophenoxy)-5-methylaniline
CID 43349571
2-(2-chloro-4-methylphenoxy)-3,4-difluoroaniline
CID 62670079
2-[4-(2-bromo-4-methylphenoxy)-3,5-difluorophenyl]ethanamine
CID 63801942
4-chloro-5-fluoro-6-(4-propan-2-ylphenoxy)benzene-1,3-diamine
CID 103553624
2-bromo-1-(4-fluorophenoxy)-4-methylbenzene
CID 59982340
2-(2-bromo-4-methylphenoxy)-4,5-dimethoxyaniline
CID 83008306
2-(2-bromo-4-methylphenoxy)-5-iodoaniline
CID 66079971
[2-bromo-4-(2-bromo-4-methylphenoxy)-3-fluorophenyl]methanamine
CID 107532667
2-(2-bromo-4-methylphenoxy)-5-fluoro-4-propan-2-yloxyaniline
CID 63593881

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methylphenoxy)-6-chloro-5-fluorobenzene-1,3-diamine?
The IUPAC name of 4-(2-bromo-4-methylphenoxy)-6-chloro-5-fluorobenzene-1,3-diamine (CID 103553690) is 4-(2-bromo-4-methylphenoxy)-6-chloro-5-fluorobenzene-1,3-diamine.
What is the SMILES notation for 4-(2-bromo-4-methylphenoxy)-6-chloro-5-fluorobenzene-1,3-diamine?
The canonical SMILES for 4-(2-bromo-4-methylphenoxy)-6-chloro-5-fluorobenzene-1,3-diamine is Cc1ccc(Oc2c(N)cc(N)c(Cl)c2F)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-methylphenoxy)-6-chloro-5-fluorobenzene-1,3-diamine?
The InChIKey is HNUZNAGTMRNMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClFN2O/c1-6-2-3-10(7(14)4-6)19-13-9(18)5-8(17)11(15)12(13)16/h2-5H,17-18H2,1H3.
What are the key properties of 4-(2-bromo-4-methylphenoxy)-6-chloro-5-fluorobenzene-1,3-diamine?
4-(2-bromo-4-methylphenoxy)-6-chloro-5-fluorobenzene-1,3-diamine has a molecular weight of 345.60 g/mol, XLogP of 4.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-methylphenoxy)-6-chloro-5-fluorobenzene-1,3-diamine is sourced from PubChem (CID 103553690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).