2-[(2-bromo-4-fluorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine

C15H16BrFN2O — CID 79589078

IUPAC2-[(2-bromo-4-fluorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(N)c(OCc2ccc(F)cc2Br)c1
InChIInChI=1S/C15H16BrFN2O/c1-19(2)12-5-6-14(18)15(8-12)20-9-10-3-4-11(17)7-13(10)16/h3-8H,9,18H2,1-2H3
InChIKeyOJVXLPKIGNZBBD-UHFFFAOYSA-N
MW339.21 g/mol
LogP3.82
Rot. Bonds4

About 2-[(2-bromo-4-fluorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine

2-[(2-bromo-4-fluorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 79589078) has the molecular formula C15H16BrFN2O and a molecular weight of 339.21 g/mol. Its IUPAC name is 2-[(2-bromo-4-fluorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-[(2-bromo-4-fluorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID79589078
Molecular FormulaC15H16BrFN2O
Molecular Weight339.21 g/mol
Exact Mass338.04
IUPAC Name2-[(2-bromo-4-fluorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(N)c(OCc2ccc(F)cc2Br)c1
InChIInChI=1S/C15H16BrFN2O/c1-19(2)12-5-6-14(18)15(8-12)20-9-10-3-4-11(17)7-13(10)16/h3-8H,9,18H2,1-2H3
InChIKeyOJVXLPKIGNZBBD-UHFFFAOYSA-N
XLogP3.82
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 53.82
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

2-[(4-ethylphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79589331
5-bromo-4-fluoro-2-[(4-fluoro-2-methylphenyl)methoxy]aniline
CID 103483039
[2-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 61267594
2-[[2-amino-5-(dimethylamino)phenoxy]methyl]benzonitrile
CID 79589430
1-[(2-bromo-4-fluorophenyl)methoxy]-3,5-dimethylbenzene
CID 55192230
2-(2,2-difluoroethoxy)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79588821
2-[2-amino-5-(dimethylamino)phenoxy]ethanol
CID 79589167
methyl 4-amino-3-[(2-bromo-5-fluorophenyl)methoxy]benzoate
CID 43380143
5-amino-2-[(2-bromo-4-fluorophenyl)methoxy]benzoic acid
CID 43379973
2-bromo-1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-4-fluorobenzene
CID 28981493
(1R)-1-[2-[(2-bromo-4-fluorophenyl)methoxy]-4-methylphenyl]ethanamine
CID 78947233
1-[3-bromo-4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 63421985

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-fluorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 2-[(2-bromo-4-fluorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine (CID 79589078) is 2-[(2-bromo-4-fluorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 2-[(2-bromo-4-fluorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 2-[(2-bromo-4-fluorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine is CN(C)c1ccc(N)c(OCc2ccc(F)cc2Br)c1.
What is the InChIKey of 2-[(2-bromo-4-fluorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is OJVXLPKIGNZBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O/c1-19(2)12-5-6-14(18)15(8-12)20-9-10-3-4-11(17)7-13(10)16/h3-8H,9,18H2,1-2H3.
What are the key properties of 2-[(2-bromo-4-fluorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine?
2-[(2-bromo-4-fluorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 339.21 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-fluorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 79589078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).