4-(diethylamino)-3,5-difluorobenzenecarboximidamide

C11H15F2N3 — CID 81293229

IUPAC4-(diethylamino)-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(N(CC)CC)c(F)c1
InChIInChI=1S/C11H15F2N3/c1-3-16(4-2)10-8(12)5-7(11(14)15)6-9(10)13/h5-6H,3-4H2,1-2H3,(H3,14,15)
InChIKeyDPMXSYQHYVABEM-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.10
Rot. Bonds4

About 4-(diethylamino)-3,5-difluorobenzenecarboximidamide

4-(diethylamino)-3,5-difluorobenzenecarboximidamide (PubChem CID 81293229) has the molecular formula C11H15F2N3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-(diethylamino)-3,5-difluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(diethylamino)-3,5-difluorobenzenecarboximidamide
PubChem CID81293229
Molecular FormulaC11H15F2N3
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name4-(diethylamino)-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(N(CC)CC)c(F)c1
InChIInChI=1S/C11H15F2N3/c1-3-16(4-2)10-8(12)5-7(11(14)15)6-9(10)13/h5-6H,3-4H2,1-2H3,(H3,14,15)
InChIKeyDPMXSYQHYVABEM-UHFFFAOYSA-N
XLogP2.10
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.10
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-[ethyl(methyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81293235
4-[benzyl(ethyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81285393
4-[cyclobutylmethyl(ethyl)amino]-3,5-difluorobenzenecarboximidamide
CID 107399003
4-[ethyl(pyridin-2-ylmethyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81285682
4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81285521
3,5-difluoro-4-propoxybenzenecarboximidamide
CID 81293988
3,5-difluoro-4-[pentyl(propan-2-yl)amino]benzenecarboximidamide
CID 81294671
4-[ethyl(2,2,2-trifluoroethyl)amino]-3-fluorobenzenecarboximidamide
CID 55011485
4-[2-ethoxyethyl(ethyl)amino]-3-fluorobenzenecarboximidamide
CID 55227881
4-[cyclopropyl(2-methoxyethyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81294570
3,5-difluoro-4-(3-fluoro-N-methylanilino)benzenecarboximidamide
CID 81293537
4-[(N-ethyl-3-methylanilino)methyl]-3-fluorobenzenecarboximidamide
CID 61075864

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-3,5-difluorobenzenecarboximidamide?
The IUPAC name of 4-(diethylamino)-3,5-difluorobenzenecarboximidamide (CID 81293229) is 4-(diethylamino)-3,5-difluorobenzenecarboximidamide.
What is the SMILES notation for 4-(diethylamino)-3,5-difluorobenzenecarboximidamide?
The canonical SMILES for 4-(diethylamino)-3,5-difluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)c(N(CC)CC)c(F)c1.
What is the InChIKey of 4-(diethylamino)-3,5-difluorobenzenecarboximidamide?
The InChIKey is DPMXSYQHYVABEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3/c1-3-16(4-2)10-8(12)5-7(11(14)15)6-9(10)13/h5-6H,3-4H2,1-2H3,(H3,14,15).
What are the key properties of 4-(diethylamino)-3,5-difluorobenzenecarboximidamide?
4-(diethylamino)-3,5-difluorobenzenecarboximidamide has a molecular weight of 227.26 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-3,5-difluorobenzenecarboximidamide is sourced from PubChem (CID 81293229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).