N-[1-(4-fluorophenyl)ethyl]-N,N'-dimethylmethanimidamide

C11H15FN2 — CID 123986457

IUPACN-[1-(4-fluorophenyl)ethyl]-N,N'-dimethylmethanimidamide
SMILESC/N=C/N(C)C(C)c1ccc(F)cc1
InChIInChI=1S/C11H15FN2/c1-9(14(3)8-13-2)10-4-6-11(12)7-5-10/h4-9H,1-3H3/b13-8+
InChIKeyZDAUAYIKPWPNPA-MDWZMJQESA-N
MW194.25 g/mol
LogP2.48
Rot. Bonds3

About N-[1-(4-fluorophenyl)ethyl]-N,N'-dimethylmethanimidamide

N-[1-(4-fluorophenyl)ethyl]-N,N'-dimethylmethanimidamide (PubChem CID 123986457) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-N,N'-dimethylmethanimidamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-N,N'-dimethylmethanimidamide
PubChem CID123986457
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-N,N'-dimethylmethanimidamide
SMILESC/N=C/N(C)C(C)c1ccc(F)cc1
InChIInChI=1S/C11H15FN2/c1-9(14(3)8-13-2)10-4-6-11(12)7-5-10/h4-9H,1-3H3/b13-8+
InChIKeyZDAUAYIKPWPNPA-MDWZMJQESA-N
XLogP2.48
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.48
H-Bond Donors ≤ 50
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-[1-(4-fluorophenyl)ethyl]-N,N'-dimethylmethanimidamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N,N'-dimethylmethanimidamide (CID 123986457) is N-[1-(4-fluorophenyl)ethyl]-N,N'-dimethylmethanimidamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-N,N'-dimethylmethanimidamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-N,N'-dimethylmethanimidamide is C/N=C/N(C)C(C)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-N,N'-dimethylmethanimidamide?
The InChIKey is ZDAUAYIKPWPNPA-MDWZMJQESA-N. The full InChI is InChI=1S/C11H15FN2/c1-9(14(3)8-13-2)10-4-6-11(12)7-5-10/h4-9H,1-3H3/b13-8+.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-N,N'-dimethylmethanimidamide?
N-[1-(4-fluorophenyl)ethyl]-N,N'-dimethylmethanimidamide has a molecular weight of 194.25 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-N,N'-dimethylmethanimidamide is sourced from PubChem (CID 123986457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).