2-fluoro-N'-methyl-6-(methylamino)benzenecarboximidamide

C9H12FN3 — CID 144693877

IUPAC2-fluoro-N'-methyl-6-(methylamino)benzenecarboximidamide
SMILESC/N=C(\N)c1c(F)cccc1NC
InChIInChI=1S/C9H12FN3/c1-12-7-5-3-4-6(10)8(7)9(11)13-2/h3-5,12H,1-2H3,(H2,11,13)
InChIKeyZYLKWLUXFUQPHP-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.20
Rot. Bonds2

About 2-fluoro-N'-methyl-6-(methylamino)benzenecarboximidamide

2-fluoro-N'-methyl-6-(methylamino)benzenecarboximidamide (PubChem CID 144693877) has the molecular formula C9H12FN3 and a molecular weight of 181.21 g/mol. Its IUPAC name is 2-fluoro-N'-methyl-6-(methylamino)benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-N'-methyl-6-(methylamino)benzenecarboximidamide
PubChem CID144693877
Molecular FormulaC9H12FN3
Molecular Weight181.21 g/mol
Exact Mass181.10
IUPAC Name2-fluoro-N'-methyl-6-(methylamino)benzenecarboximidamide
SMILESC/N=C(\N)c1c(F)cccc1NC
InChIInChI=1S/C9H12FN3/c1-12-7-5-3-4-6(10)8(7)9(11)13-2/h3-5,12H,1-2H3,(H2,11,13)
InChIKeyZYLKWLUXFUQPHP-UHFFFAOYSA-N
XLogP1.20
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.20
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

2,3-difluoro-N-methylaniline
CID 50998712
3-fluoro-1-N,2-N-dimethylbenzene-1,2-diamine
CID 69472911
2,6-difluoro-N'-hydroxybenzenecarboximidamide
CID 3492978
2-(carbamothioylamino)-6-fluorobenzamide
CID 169356311
2-chloro-6-(methylamino)benzamide
CID 58906344
2-[(E)-1-amino-1-[2-fluoro-6-(methylamino)phenyl]-3-oxoprop-1-en-2-yl]-2,3-dihydro-1H-benzimidazole-5-carbaldehyde
CID 143059359
2-fluoro-6-(2,3,5,6-tetrafluoroanilino)benzenecarbothioamide
CID 107644915
2-[(2-amino-3-hydroxybutyl)amino]-6-fluorobenzamide
CID 79521990
2-fluoro-N'-hydroxy-6-(2-methoxyethylsulfamoylamino)benzenecarboximidamide
CID 114816573
N-[3-fluoro-2-(N'-hydroxycarbamimidoyl)phenyl]piperidine-1-carboxamide
CID 79156097
2-[2-fluoro-6-(methylamino)phenyl]acetic acid
CID 82280939
2-hydroxy-6-methoxy-N'-methylbenzenecarboximidamide
CID 137209939

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-methyl-6-(methylamino)benzenecarboximidamide?
The IUPAC name of 2-fluoro-N'-methyl-6-(methylamino)benzenecarboximidamide (CID 144693877) is 2-fluoro-N'-methyl-6-(methylamino)benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-N'-methyl-6-(methylamino)benzenecarboximidamide?
The canonical SMILES for 2-fluoro-N'-methyl-6-(methylamino)benzenecarboximidamide is C/N=C(\N)c1c(F)cccc1NC.
What is the InChIKey of 2-fluoro-N'-methyl-6-(methylamino)benzenecarboximidamide?
The InChIKey is ZYLKWLUXFUQPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3/c1-12-7-5-3-4-6(10)8(7)9(11)13-2/h3-5,12H,1-2H3,(H2,11,13).
What are the key properties of 2-fluoro-N'-methyl-6-(methylamino)benzenecarboximidamide?
2-fluoro-N'-methyl-6-(methylamino)benzenecarboximidamide has a molecular weight of 181.21 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-methyl-6-(methylamino)benzenecarboximidamide is sourced from PubChem (CID 144693877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).