5-bromo-2-[(2-fluorophenyl)methyl-methylamino]benzenecarboximidamide

C15H15BrFN3 — CID 114892900

IUPAC5-bromo-2-[(2-fluorophenyl)methyl-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)ccc1N(C)Cc1ccccc1F
InChIInChI=1S/C15H15BrFN3/c1-20(9-10-4-2-3-5-13(10)17)14-7-6-11(16)8-12(14)15(18)19/h2-8H,9H2,1H3,(H3,18,19)
InChIKeyWVUJINDRTVYPAY-UHFFFAOYSA-N
MW336.21 g/mol
LogP3.51
Rot. Bonds4

About 5-bromo-2-[(2-fluorophenyl)methyl-methylamino]benzenecarboximidamide

5-bromo-2-[(2-fluorophenyl)methyl-methylamino]benzenecarboximidamide (PubChem CID 114892900) has the molecular formula C15H15BrFN3 and a molecular weight of 336.21 g/mol. Its IUPAC name is 5-bromo-2-[(2-fluorophenyl)methyl-methylamino]benzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-2-[(2-fluorophenyl)methyl-methylamino]benzenecarboximidamide
PubChem CID114892900
Molecular FormulaC15H15BrFN3
Molecular Weight336.21 g/mol
Exact Mass335.04
IUPAC Name5-bromo-2-[(2-fluorophenyl)methyl-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)ccc1N(C)Cc1ccccc1F
InChIInChI=1S/C15H15BrFN3/c1-20(9-10-4-2-3-5-13(10)17)14-7-6-11(16)8-12(14)15(18)19/h2-8H,9H2,1H3,(H3,18,19)
InChIKeyWVUJINDRTVYPAY-UHFFFAOYSA-N
XLogP3.51
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-[(2-fluorophenyl)methyl-methylamino]benzenecarboximidamide
CID 82799105
2-[(2-chlorophenyl)methyl-methylamino]-5-fluorobenzenecarboximidamide
CID 63673253
5-bromo-2-[methyl-[(3-methylphenyl)methyl]amino]benzenecarboximidamide
CID 114892898
5-bromo-2-[methyl(propyl)amino]benzenecarboximidamide
CID 114892861
4-bromo-2-(2-fluoro-N-methylanilino)benzenecarboximidamide
CID 114904547
5-bromo-2-[(2-bromophenyl)methyl-methylamino]benzenecarbothioamide
CID 114891434
5-fluoro-2-[(2-fluorophenyl)methyl-methylamino]benzenecarbothioamide
CID 63673025
1-[5-bromo-2-[(2-bromophenyl)methyl-methylamino]phenyl]ethanone
CID 82967281
4-bromo-2-[(3-bromophenyl)methyl-methylamino]benzenecarboximidamide
CID 114904462
4-bromo-2-[(2-fluorophenyl)methyl-methylamino]benzaldehyde
CID 61412218
2-bromo-6-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 114883138
5-bromo-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide
CID 114949754

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-fluorophenyl)methyl-methylamino]benzenecarboximidamide?
The IUPAC name of 5-bromo-2-[(2-fluorophenyl)methyl-methylamino]benzenecarboximidamide (CID 114892900) is 5-bromo-2-[(2-fluorophenyl)methyl-methylamino]benzenecarboximidamide.
What is the SMILES notation for 5-bromo-2-[(2-fluorophenyl)methyl-methylamino]benzenecarboximidamide?
The canonical SMILES for 5-bromo-2-[(2-fluorophenyl)methyl-methylamino]benzenecarboximidamide is [H]/N=C(\N)c1cc(Br)ccc1N(C)Cc1ccccc1F.
What is the InChIKey of 5-bromo-2-[(2-fluorophenyl)methyl-methylamino]benzenecarboximidamide?
The InChIKey is WVUJINDRTVYPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3/c1-20(9-10-4-2-3-5-13(10)17)14-7-6-11(16)8-12(14)15(18)19/h2-8H,9H2,1H3,(H3,18,19).
What are the key properties of 5-bromo-2-[(2-fluorophenyl)methyl-methylamino]benzenecarboximidamide?
5-bromo-2-[(2-fluorophenyl)methyl-methylamino]benzenecarboximidamide has a molecular weight of 336.21 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2-fluorophenyl)methyl-methylamino]benzenecarboximidamide is sourced from PubChem (CID 114892900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).