3-fluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylaniline

C14H15FN4O2 — CID 107352931

IUPAC3-fluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylaniline
SMILESCN(Cc1cccc([N+](=O)[O-])c1NN)c1cccc(F)c1
InChIInChI=1S/C14H15FN4O2/c1-18(12-6-3-5-11(15)8-12)9-10-4-2-7-13(19(20)21)14(10)17-16/h2-8,17H,9,16H2,1H3
InChIKeyARDKTTADRLIVNE-UHFFFAOYSA-N
MW290.30 g/mol
LogP2.66
Rot. Bonds5

About 3-fluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylaniline

3-fluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylaniline (PubChem CID 107352931) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 3-fluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylaniline.

Molecular Properties

Compound Name3-fluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylaniline
PubChem CID107352931
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name3-fluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylaniline
SMILESCN(Cc1cccc([N+](=O)[O-])c1NN)c1cccc(F)c1
InChIInChI=1S/C14H15FN4O2/c1-18(12-6-3-5-11(15)8-12)9-10-4-2-7-13(19(20)21)14(10)17-16/h2-8,17H,9,16H2,1H3
InChIKeyARDKTTADRLIVNE-UHFFFAOYSA-N
XLogP2.66
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydrazinyl-3-nitrophenyl)-N,N-dimethylmethanamine
CID 107353006
2,2,2-trifluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine
CID 107352881
N-(dimethylsulfamoyl)-1-(2-hydrazinyl-3-nitrophenyl)-N-methylmethanamine
CID 112752075
N-ethyl-2-[(N-methylanilino)methyl]-6-nitroaniline
CID 107350686
2-[ethyl-[(2-hydrazinyl-3-nitrophenyl)methyl]amino]-N,N-dimethylacetamide
CID 107352930
N-[(2-fluoro-3-nitrophenyl)methyl]-3-methoxy-N-methylaniline
CID 107348273
N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 107352890
[2-[(2,5-difluorophenyl)sulfanylmethyl]-6-nitrophenyl]hydrazine
CID 107353455
[2-(bromomethyl)-6-nitrophenyl]hydrazine
CID 118855249
N-ethyl-2-[(2-hydrazinyl-3-nitrophenyl)methyl-methylamino]acetamide
CID 107352926
2-[(2-hydrazinyl-3-nitrophenyl)methyl-methylamino]cyclohexan-1-ol
CID 107353144
1-(2-hydrazinyl-3-nitrophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 107353044

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylaniline?
The IUPAC name of 3-fluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylaniline (CID 107352931) is 3-fluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylaniline.
What is the SMILES notation for 3-fluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylaniline?
The canonical SMILES for 3-fluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylaniline is CN(Cc1cccc([N+](=O)[O-])c1NN)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylaniline?
The InChIKey is ARDKTTADRLIVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-18(12-6-3-5-11(15)8-12)9-10-4-2-7-13(19(20)21)14(10)17-16/h2-8,17H,9,16H2,1H3.
What are the key properties of 3-fluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylaniline?
3-fluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylaniline has a molecular weight of 290.30 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylaniline is sourced from PubChem (CID 107352931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).