N,N'-diethyl-2-(4-fluorophenyl)ethanimidamide;hydrochloride

C12H18ClFN2 — CID 45260139

IUPACN,N'-diethyl-2-(4-fluorophenyl)ethanimidamide;hydrochloride
SMILESCC/N=C(/Cc1ccc(F)cc1)NCC.Cl
InChIInChI=1S/C12H17FN2.ClH/c1-3-14-12(15-4-2)9-10-5-7-11(13)8-6-10;/h5-8H,3-4,9H2,1-2H3,(H,14,15);1H
InChIKeyPYBMPVWDZBRYLD-UHFFFAOYSA-N
MW244.74 g/mol
LogP2.82
Rot. Bonds4

About N,N'-diethyl-2-(4-fluorophenyl)ethanimidamide;hydrochloride

N,N'-diethyl-2-(4-fluorophenyl)ethanimidamide;hydrochloride (PubChem CID 45260139) has the molecular formula C12H18ClFN2 and a molecular weight of 244.74 g/mol. Its IUPAC name is N,N'-diethyl-2-(4-fluorophenyl)ethanimidamide;hydrochloride.

Molecular Properties

Compound NameN,N'-diethyl-2-(4-fluorophenyl)ethanimidamide;hydrochloride
PubChem CID45260139
Molecular FormulaC12H18ClFN2
Molecular Weight244.74 g/mol
Exact Mass244.11
IUPAC NameN,N'-diethyl-2-(4-fluorophenyl)ethanimidamide;hydrochloride
SMILESCC/N=C(/Cc1ccc(F)cc1)NCC.Cl
InChIInChI=1S/C12H17FN2.ClH/c1-3-14-12(15-4-2)9-10-5-7-11(13)8-6-10;/h5-8H,3-4,9H2,1-2H3,(H,14,15);1H
InChIKeyPYBMPVWDZBRYLD-UHFFFAOYSA-N
XLogP2.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.74
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N,N'-diethyl-2-(4-fluorophenyl)ethanimidamide;hydrochloride?
The IUPAC name of N,N'-diethyl-2-(4-fluorophenyl)ethanimidamide;hydrochloride (CID 45260139) is N,N'-diethyl-2-(4-fluorophenyl)ethanimidamide;hydrochloride.
What is the SMILES notation for N,N'-diethyl-2-(4-fluorophenyl)ethanimidamide;hydrochloride?
The canonical SMILES for N,N'-diethyl-2-(4-fluorophenyl)ethanimidamide;hydrochloride is CC/N=C(/Cc1ccc(F)cc1)NCC.Cl.
What is the InChIKey of N,N'-diethyl-2-(4-fluorophenyl)ethanimidamide;hydrochloride?
The InChIKey is PYBMPVWDZBRYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2.ClH/c1-3-14-12(15-4-2)9-10-5-7-11(13)8-6-10;/h5-8H,3-4,9H2,1-2H3,(H,14,15);1H.
What are the key properties of N,N'-diethyl-2-(4-fluorophenyl)ethanimidamide;hydrochloride?
N,N'-diethyl-2-(4-fluorophenyl)ethanimidamide;hydrochloride has a molecular weight of 244.74 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-2-(4-fluorophenyl)ethanimidamide;hydrochloride is sourced from PubChem (CID 45260139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).