2-fluoro-6-[methyl-[(2-methylcyclopropyl)methyl]amino]benzenecarboximidamide

C13H18FN3 — CID 79519909

IUPAC2-fluoro-6-[methyl-[(2-methylcyclopropyl)methyl]amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1N(C)CC1CC1C
InChIInChI=1S/C13H18FN3/c1-8-6-9(8)7-17(2)11-5-3-4-10(14)12(11)13(15)16/h3-5,8-9H,6-7H2,1-2H3,(H3,15,16)
InChIKeyCBILPYYWIKCMCK-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.20
Rot. Bonds4

About 2-fluoro-6-[methyl-[(2-methylcyclopropyl)methyl]amino]benzenecarboximidamide

2-fluoro-6-[methyl-[(2-methylcyclopropyl)methyl]amino]benzenecarboximidamide (PubChem CID 79519909) has the molecular formula C13H18FN3 and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-fluoro-6-[methyl-[(2-methylcyclopropyl)methyl]amino]benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-6-[methyl-[(2-methylcyclopropyl)methyl]amino]benzenecarboximidamide
PubChem CID79519909
Molecular FormulaC13H18FN3
Molecular Weight235.31 g/mol
Exact Mass235.15
IUPAC Name2-fluoro-6-[methyl-[(2-methylcyclopropyl)methyl]amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1N(C)CC1CC1C
InChIInChI=1S/C13H18FN3/c1-8-6-9(8)7-17(2)11-5-3-4-10(14)12(11)13(15)16/h3-5,8-9H,6-7H2,1-2H3,(H3,15,16)
InChIKeyCBILPYYWIKCMCK-UHFFFAOYSA-N
XLogP2.20
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.20
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

1-[2-fluoro-6-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanone
CID 63865522
2-fluoro-6-[methyl(2-methylpropyl)amino]benzenecarboximidamide
CID 79519709
2-[methyl-[(2-methylcyclopropyl)methyl]amino]-5-(trifluoromethyl)benzenecarboximidamide
CID 63865694
2-[methyl-[(2-methylcyclopropyl)methyl]amino]pyrimidine-4-carboximidamide
CID 107550526
2-[cyclobutylmethyl(methyl)amino]-6-fluorobenzenecarbothioamide
CID 79519658
2-[methyl-[(2-methylcyclopropyl)methyl]amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877127
2-[cyclohexylmethyl(methyl)amino]-6-fluorobenzenecarbothioamide
CID 79513340
2-(N-ethyl-4-methylanilino)-6-fluorobenzenecarboximidamide
CID 79519640
2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
CID 79519200
2-fluoro-6-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide
CID 114678798
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide
CID 63681580
2-fluoro-6-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 64748711

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[methyl-[(2-methylcyclopropyl)methyl]amino]benzenecarboximidamide?
The IUPAC name of 2-fluoro-6-[methyl-[(2-methylcyclopropyl)methyl]amino]benzenecarboximidamide (CID 79519909) is 2-fluoro-6-[methyl-[(2-methylcyclopropyl)methyl]amino]benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-6-[methyl-[(2-methylcyclopropyl)methyl]amino]benzenecarboximidamide?
The canonical SMILES for 2-fluoro-6-[methyl-[(2-methylcyclopropyl)methyl]amino]benzenecarboximidamide is [H]/N=C(\N)c1c(F)cccc1N(C)CC1CC1C.
What is the InChIKey of 2-fluoro-6-[methyl-[(2-methylcyclopropyl)methyl]amino]benzenecarboximidamide?
The InChIKey is CBILPYYWIKCMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3/c1-8-6-9(8)7-17(2)11-5-3-4-10(14)12(11)13(15)16/h3-5,8-9H,6-7H2,1-2H3,(H3,15,16).
What are the key properties of 2-fluoro-6-[methyl-[(2-methylcyclopropyl)methyl]amino]benzenecarboximidamide?
2-fluoro-6-[methyl-[(2-methylcyclopropyl)methyl]amino]benzenecarboximidamide has a molecular weight of 235.31 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[methyl-[(2-methylcyclopropyl)methyl]amino]benzenecarboximidamide is sourced from PubChem (CID 79519909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).