N'-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]azetidine-1-carboximidamide

C18H20FN3O — CID 122095368

IUPACN'-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]azetidine-1-carboximidamide
SMILESN/C(=N\Cc1ccc(OCc2ccccc2F)cc1)N1CCC1
InChIInChI=1S/C18H20FN3O/c19-17-5-2-1-4-15(17)13-23-16-8-6-14(7-9-16)12-21-18(20)22-10-3-11-22/h1-2,4-9H,3,10-13H2,(H2,20,21)
InChIKeyKWAPWTCIBFDLAX-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.93
Rot. Bonds5

About N'-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]azetidine-1-carboximidamide

N'-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]azetidine-1-carboximidamide (PubChem CID 122095368) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is N'-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]azetidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]azetidine-1-carboximidamide
PubChem CID122095368
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC NameN'-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]azetidine-1-carboximidamide
SMILESN/C(=N\Cc1ccc(OCc2ccccc2F)cc1)N1CCC1
InChIInChI=1S/C18H20FN3O/c19-17-5-2-1-4-15(17)13-23-16-8-6-14(7-9-16)12-21-18(20)22-10-3-11-22/h1-2,4-9H,3,10-13H2,(H2,20,21)
InChIKeyKWAPWTCIBFDLAX-UHFFFAOYSA-N
XLogP2.93
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
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 N'-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]azetidine-1-carboximidamide?
The IUPAC name of N'-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]azetidine-1-carboximidamide (CID 122095368) is N'-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]azetidine-1-carboximidamide.
What is the SMILES notation for N'-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]azetidine-1-carboximidamide?
The canonical SMILES for N'-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]azetidine-1-carboximidamide is N/C(=N\Cc1ccc(OCc2ccccc2F)cc1)N1CCC1.
What is the InChIKey of N'-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]azetidine-1-carboximidamide?
The InChIKey is KWAPWTCIBFDLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c19-17-5-2-1-4-15(17)13-23-16-8-6-14(7-9-16)12-21-18(20)22-10-3-11-22/h1-2,4-9H,3,10-13H2,(H2,20,21).
What are the key properties of N'-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]azetidine-1-carboximidamide?
N'-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]azetidine-1-carboximidamide has a molecular weight of 313.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]azetidine-1-carboximidamide is sourced from PubChem (CID 122095368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).