2-(N-ethyl-4-methylanilino)-6-fluorobenzenecarboximidamide

C16H18FN3 — CID 79519640

IUPAC2-(N-ethyl-4-methylanilino)-6-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1N(CC)c1ccc(C)cc1
InChIInChI=1S/C16H18FN3/c1-3-20(12-9-7-11(2)8-10-12)14-6-4-5-13(17)15(14)16(18)19/h4-10H,3H2,1-2H3,(H3,18,19)
InChIKeyCXTFXSGFSMPHFS-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.58
Rot. Bonds4

About 2-(N-ethyl-4-methylanilino)-6-fluorobenzenecarboximidamide

2-(N-ethyl-4-methylanilino)-6-fluorobenzenecarboximidamide (PubChem CID 79519640) has the molecular formula C16H18FN3 and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-(N-ethyl-4-methylanilino)-6-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-(N-ethyl-4-methylanilino)-6-fluorobenzenecarboximidamide
PubChem CID79519640
Molecular FormulaC16H18FN3
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC Name2-(N-ethyl-4-methylanilino)-6-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1N(CC)c1ccc(C)cc1
InChIInChI=1S/C16H18FN3/c1-3-20(12-9-7-11(2)8-10-12)14-6-4-5-13(17)15(14)16(18)19/h4-10H,3H2,1-2H3,(H3,18,19)
InChIKeyCXTFXSGFSMPHFS-UHFFFAOYSA-N
XLogP3.58
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.58
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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Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-4-methylanilino)-6-fluorobenzenecarboximidamide?
The IUPAC name of 2-(N-ethyl-4-methylanilino)-6-fluorobenzenecarboximidamide (CID 79519640) is 2-(N-ethyl-4-methylanilino)-6-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-(N-ethyl-4-methylanilino)-6-fluorobenzenecarboximidamide?
The canonical SMILES for 2-(N-ethyl-4-methylanilino)-6-fluorobenzenecarboximidamide is [H]/N=C(\N)c1c(F)cccc1N(CC)c1ccc(C)cc1.
What is the InChIKey of 2-(N-ethyl-4-methylanilino)-6-fluorobenzenecarboximidamide?
The InChIKey is CXTFXSGFSMPHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3/c1-3-20(12-9-7-11(2)8-10-12)14-6-4-5-13(17)15(14)16(18)19/h4-10H,3H2,1-2H3,(H3,18,19).
What are the key properties of 2-(N-ethyl-4-methylanilino)-6-fluorobenzenecarboximidamide?
2-(N-ethyl-4-methylanilino)-6-fluorobenzenecarboximidamide has a molecular weight of 271.34 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-4-methylanilino)-6-fluorobenzenecarboximidamide is sourced from PubChem (CID 79519640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).