2-N-(2-bromo-6-fluorophenyl)-4,5-dimethoxybenzene-1,2-diamine

C14H14BrFN2O2 — CID 107596753

IUPAC2-N-(2-bromo-6-fluorophenyl)-4,5-dimethoxybenzene-1,2-diamine
SMILESCOc1cc(N)c(Nc2c(F)cccc2Br)cc1OC
InChIInChI=1S/C14H14BrFN2O2/c1-19-12-6-10(17)11(7-13(12)20-2)18-14-8(15)4-3-5-9(14)16/h3-7,18H,17H2,1-2H3
InChIKeyGKIZWVQZZIJECS-UHFFFAOYSA-N
MW341.18 g/mol
LogP3.93
Rot. Bonds4

About 2-N-(2-bromo-6-fluorophenyl)-4,5-dimethoxybenzene-1,2-diamine

2-N-(2-bromo-6-fluorophenyl)-4,5-dimethoxybenzene-1,2-diamine (PubChem CID 107596753) has the molecular formula C14H14BrFN2O2 and a molecular weight of 341.18 g/mol. Its IUPAC name is 2-N-(2-bromo-6-fluorophenyl)-4,5-dimethoxybenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-bromo-6-fluorophenyl)-4,5-dimethoxybenzene-1,2-diamine
PubChem CID107596753
Molecular FormulaC14H14BrFN2O2
Molecular Weight341.18 g/mol
Exact Mass340.02
IUPAC Name2-N-(2-bromo-6-fluorophenyl)-4,5-dimethoxybenzene-1,2-diamine
SMILESCOc1cc(N)c(Nc2c(F)cccc2Br)cc1OC
InChIInChI=1S/C14H14BrFN2O2/c1-19-12-6-10(17)11(7-13(12)20-2)18-14-8(15)4-3-5-9(14)16/h3-7,18H,17H2,1-2H3
InChIKeyGKIZWVQZZIJECS-UHFFFAOYSA-N
XLogP3.93
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.18
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-(2-bromo-6-fluorophenyl)-4-methoxybenzene-1,2-diamine
CID 107596750
1-N-(2-bromo-6-fluorophenyl)-4-chloro-5-fluorobenzene-1,2-diamine
CID 107596688
4-bromo-2-N-(2-bromo-6-fluorophenyl)benzene-1,2-diamine
CID 107596728
1-N-(2-bromo-4-fluorophenyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 63597815
2-N-(3-bromo-4-methoxyphenyl)-3-fluorobenzene-1,2-diamine
CID 115125595
4-fluoro-1-N-(2-fluorophenyl)-5-methoxybenzene-1,2-diamine
CID 63599048
3-amino-N-(2-bromo-6-fluorophenyl)-4-methoxybenzenesulfonamide
CID 107596407
4-fluoro-5-methoxy-1-N-(3-methylphenyl)benzene-1,2-diamine
CID 63600094
4-bromo-2-N-(2,4-dibromo-5-methoxyphenyl)-5-fluorobenzene-1,2-diamine
CID 103410813
1-N-(5-bromo-2,4-difluorophenyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 102852460
1-N-(2-bromo-6-fluorophenyl)-3-propoxybenzene-1,2-diamine
CID 107596697
4-(2-amino-4-fluoro-5-methoxyanilino)-3-bromobenzonitrile
CID 107787234

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromo-6-fluorophenyl)-4,5-dimethoxybenzene-1,2-diamine?
The IUPAC name of 2-N-(2-bromo-6-fluorophenyl)-4,5-dimethoxybenzene-1,2-diamine (CID 107596753) is 2-N-(2-bromo-6-fluorophenyl)-4,5-dimethoxybenzene-1,2-diamine.
What is the SMILES notation for 2-N-(2-bromo-6-fluorophenyl)-4,5-dimethoxybenzene-1,2-diamine?
The canonical SMILES for 2-N-(2-bromo-6-fluorophenyl)-4,5-dimethoxybenzene-1,2-diamine is COc1cc(N)c(Nc2c(F)cccc2Br)cc1OC.
What is the InChIKey of 2-N-(2-bromo-6-fluorophenyl)-4,5-dimethoxybenzene-1,2-diamine?
The InChIKey is GKIZWVQZZIJECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O2/c1-19-12-6-10(17)11(7-13(12)20-2)18-14-8(15)4-3-5-9(14)16/h3-7,18H,17H2,1-2H3.
What are the key properties of 2-N-(2-bromo-6-fluorophenyl)-4,5-dimethoxybenzene-1,2-diamine?
2-N-(2-bromo-6-fluorophenyl)-4,5-dimethoxybenzene-1,2-diamine has a molecular weight of 341.18 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bromo-6-fluorophenyl)-4,5-dimethoxybenzene-1,2-diamine is sourced from PubChem (CID 107596753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).