4-[ethyl(methyl)amino]-3,5-difluorobenzenecarboximidamide

C10H13F2N3 — CID 81293235

IUPAC4-[ethyl(methyl)amino]-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(N(C)CC)c(F)c1
InChIInChI=1S/C10H13F2N3/c1-3-15(2)9-7(11)4-6(10(13)14)5-8(9)12/h4-5H,3H2,1-2H3,(H3,13,14)
InChIKeyNVHYOCLOWHZVQV-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.70
Rot. Bonds3

About 4-[ethyl(methyl)amino]-3,5-difluorobenzenecarboximidamide

4-[ethyl(methyl)amino]-3,5-difluorobenzenecarboximidamide (PubChem CID 81293235) has the molecular formula C10H13F2N3 and a molecular weight of 213.23 g/mol. Its IUPAC name is 4-[ethyl(methyl)amino]-3,5-difluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-[ethyl(methyl)amino]-3,5-difluorobenzenecarboximidamide
PubChem CID81293235
Molecular FormulaC10H13F2N3
Molecular Weight213.23 g/mol
Exact Mass213.11
IUPAC Name4-[ethyl(methyl)amino]-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(N(C)CC)c(F)c1
InChIInChI=1S/C10H13F2N3/c1-3-15(2)9-7(11)4-6(10(13)14)5-8(9)12/h4-5H,3H2,1-2H3,(H3,13,14)
InChIKeyNVHYOCLOWHZVQV-UHFFFAOYSA-N
XLogP1.70
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.70
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

4-(diethylamino)-3,5-difluorobenzenecarboximidamide
CID 81293229
4-[ethyl(methyl)amino]-3,5-difluorobenzenecarbothioamide
CID 81286537
3,5-difluoro-4-[pentyl(propan-2-yl)amino]benzenecarboximidamide
CID 81294671
4-[cyclobutylmethyl(ethyl)amino]-3,5-difluorobenzenecarboximidamide
CID 107399003
4-[benzyl(ethyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81285393
3,5-difluoro-4-propoxybenzenecarboximidamide
CID 81293988
4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81285521
4-[ethyl(pyridin-2-ylmethyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81285682
3,5-difluoro-4-(3-fluoro-N-methylanilino)benzenecarboximidamide
CID 81293537
2-[ethyl(methyl)amino]-6-methylpyridine-4-carboximidamide
CID 114768868
4-(2-ethylimidazol-1-yl)-3,5-difluorobenzenecarboximidamide
CID 81293852
4-(dimethylamino)-3-fluorobenzenecarboximidamide
CID 43658256

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methyl)amino]-3,5-difluorobenzenecarboximidamide?
The IUPAC name of 4-[ethyl(methyl)amino]-3,5-difluorobenzenecarboximidamide (CID 81293235) is 4-[ethyl(methyl)amino]-3,5-difluorobenzenecarboximidamide.
What is the SMILES notation for 4-[ethyl(methyl)amino]-3,5-difluorobenzenecarboximidamide?
The canonical SMILES for 4-[ethyl(methyl)amino]-3,5-difluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)c(N(C)CC)c(F)c1.
What is the InChIKey of 4-[ethyl(methyl)amino]-3,5-difluorobenzenecarboximidamide?
The InChIKey is NVHYOCLOWHZVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3/c1-3-15(2)9-7(11)4-6(10(13)14)5-8(9)12/h4-5H,3H2,1-2H3,(H3,13,14).
What are the key properties of 4-[ethyl(methyl)amino]-3,5-difluorobenzenecarboximidamide?
4-[ethyl(methyl)amino]-3,5-difluorobenzenecarboximidamide has a molecular weight of 213.23 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)amino]-3,5-difluorobenzenecarboximidamide is sourced from PubChem (CID 81293235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).