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

C12H18FN3 — CID 79519709

IUPAC2-fluoro-6-[methyl(2-methylpropyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1N(C)CC(C)C
InChIInChI=1S/C12H18FN3/c1-8(2)7-16(3)10-6-4-5-9(13)11(10)12(14)15/h4-6,8H,7H2,1-3H3,(H3,14,15)
InChIKeyYZYYMQKAUSIEMX-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.20
Rot. Bonds4

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

2-fluoro-6-[methyl(2-methylpropyl)amino]benzenecarboximidamide (PubChem CID 79519709) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-fluoro-6-[methyl(2-methylpropyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-6-[methyl(2-methylpropyl)amino]benzenecarboximidamide
PubChem CID79519709
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC Name2-fluoro-6-[methyl(2-methylpropyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1N(C)CC(C)C
InChIInChI=1S/C12H18FN3/c1-8(2)7-16(3)10-6-4-5-9(13)11(10)12(14)15/h4-6,8H,7H2,1-3H3,(H3,14,15)
InChIKeyYZYYMQKAUSIEMX-UHFFFAOYSA-N
XLogP2.20
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
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

2-fluoro-6-[methyl-[(2-methylcyclopropyl)methyl]amino]benzenecarboximidamide
CID 79519909
2-fluoro-6-[methyl(2-methylbutyl)amino]benzenecarbothioamide
CID 79513049
3-fluoro-N-methyl-N-(2-methylpropyl)-2-nitroaniline
CID 62045259
2-butan-2-ylsulfanyl-6-fluorobenzenecarboximidamide
CID 79523193
2-(N-ethyl-4-methylanilino)-6-fluorobenzenecarboximidamide
CID 79519640
2-[ethyl(2-methylpropyl)amino]-6-methylsulfanylbenzenecarboximidamide
CID 113385837
2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
CID 79519200
2-butan-2-yloxy-6-fluorobenzenecarboximidamide
CID 43609351
2-[2-hydroxypropyl(methyl)amino]benzenecarboximidamide
CID 62334639
2-fluoro-6-(3-hydroxy-2-methylpropyl)sulfanylbenzenecarboximidamide
CID 79522863
2-(2-carbamimidoyl-3-fluorophenoxy)-N,N-dimethylacetamide
CID 82240685
2-fluoro-6-(3,3,3-trifluoropropoxy)benzenecarboximidamide
CID 64566908

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[methyl(2-methylpropyl)amino]benzenecarboximidamide?
The IUPAC name of 2-fluoro-6-[methyl(2-methylpropyl)amino]benzenecarboximidamide (CID 79519709) is 2-fluoro-6-[methyl(2-methylpropyl)amino]benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-6-[methyl(2-methylpropyl)amino]benzenecarboximidamide?
The canonical SMILES for 2-fluoro-6-[methyl(2-methylpropyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1c(F)cccc1N(C)CC(C)C.
What is the InChIKey of 2-fluoro-6-[methyl(2-methylpropyl)amino]benzenecarboximidamide?
The InChIKey is YZYYMQKAUSIEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c1-8(2)7-16(3)10-6-4-5-9(13)11(10)12(14)15/h4-6,8H,7H2,1-3H3,(H3,14,15).
What are the key properties of 2-fluoro-6-[methyl(2-methylpropyl)amino]benzenecarboximidamide?
2-fluoro-6-[methyl(2-methylpropyl)amino]benzenecarboximidamide has a molecular weight of 223.29 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-methylpropyl)amino]benzenecarboximidamide is sourced from PubChem (CID 79519709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).