1-N-(2-bromophenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine

C13H12BrFN2 — CID 115127062

IUPAC1-N-(2-bromophenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine
SMILESCN(c1ccccc1Br)c1cccc(F)c1N
InChIInChI=1S/C13H12BrFN2/c1-17(11-7-3-2-5-9(11)14)12-8-4-6-10(15)13(12)16/h2-8H,16H2,1H3
InChIKeyZNNDGIVPATVJBB-UHFFFAOYSA-N
MW295.16 g/mol
LogP3.94
Rot. Bonds2

About 1-N-(2-bromophenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine

1-N-(2-bromophenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine (PubChem CID 115127062) has the molecular formula C13H12BrFN2 and a molecular weight of 295.16 g/mol. Its IUPAC name is 1-N-(2-bromophenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-bromophenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine
PubChem CID115127062
Molecular FormulaC13H12BrFN2
Molecular Weight295.16 g/mol
Exact Mass294.02
IUPAC Name1-N-(2-bromophenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine
SMILESCN(c1ccccc1Br)c1cccc(F)c1N
InChIInChI=1S/C13H12BrFN2/c1-17(11-7-3-2-5-9(11)14)12-8-4-6-10(15)13(12)16/h2-8H,16H2,1H3
InChIKeyZNNDGIVPATVJBB-UHFFFAOYSA-N
XLogP3.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-6-fluoroaniline;dihydrofluoride
CID 174694012
3-fluoro-1-N-methyl-1-N-pyridin-4-ylbenzene-1,2-diamine
CID 115127058
1-N-(3,5-dimethylphenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine
CID 62002994
3-fluoro-1-N-(2-methoxy-5-methylphenyl)-1-N-methylbenzene-1,2-diamine
CID 115127025
3-fluoro-1-N-methyl-1-N-(1H-pyrrol-3-yl)benzene-1,2-diamine
CID 115127044
3-fluoro-1-N-methyl-1-N-pyridin-3-ylbenzene-1,2-diamine
CID 115127057
1-N-(4-ethoxyphenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine
CID 115127036
3-fluoro-1-N-methyl-1-N-(4-propylphenyl)benzene-1,2-diamine
CID 115127029
3-amino-4-(2-bromo-N-methylanilino)benzonitrile
CID 115127445
2-bromo-6-fluoro-N,N-dimethylaniline
CID 99770093
1-N-butan-2-yl-3-fluoro-1-N-methylbenzene-1,2-diamine
CID 60788942
1-bromo-2-fluorobenzene;ethane
CID 91109851

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-bromophenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-(2-bromophenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine (CID 115127062) is 1-N-(2-bromophenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(2-bromophenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(2-bromophenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine is CN(c1ccccc1Br)c1cccc(F)c1N.
What is the InChIKey of 1-N-(2-bromophenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine?
The InChIKey is ZNNDGIVPATVJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2/c1-17(11-7-3-2-5-9(11)14)12-8-4-6-10(15)13(12)16/h2-8H,16H2,1H3.
What are the key properties of 1-N-(2-bromophenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine?
1-N-(2-bromophenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine has a molecular weight of 295.16 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-bromophenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 115127062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).