N'-[2-(3,5-difluorophenoxy)-2-methylpropyl]azetidine-1-carboximidamide

C14H19F2N3O — CID 122096036

IUPACN'-[2-(3,5-difluorophenoxy)-2-methylpropyl]azetidine-1-carboximidamide
SMILESCC(C)(C/N=C(\N)N1CCC1)Oc1cc(F)cc(F)c1
InChIInChI=1S/C14H19F2N3O/c1-14(2,9-18-13(17)19-4-3-5-19)20-12-7-10(15)6-11(16)8-12/h6-8H,3-5,9H2,1-2H3,(H2,17,18)
InChIKeySDZSNBLERWHLBA-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.14
Rot. Bonds4

About N'-[2-(3,5-difluorophenoxy)-2-methylpropyl]azetidine-1-carboximidamide

N'-[2-(3,5-difluorophenoxy)-2-methylpropyl]azetidine-1-carboximidamide (PubChem CID 122096036) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is N'-[2-(3,5-difluorophenoxy)-2-methylpropyl]azetidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(3,5-difluorophenoxy)-2-methylpropyl]azetidine-1-carboximidamide
PubChem CID122096036
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC NameN'-[2-(3,5-difluorophenoxy)-2-methylpropyl]azetidine-1-carboximidamide
SMILESCC(C)(C/N=C(\N)N1CCC1)Oc1cc(F)cc(F)c1
InChIInChI=1S/C14H19F2N3O/c1-14(2,9-18-13(17)19-4-3-5-19)20-12-7-10(15)6-11(16)8-12/h6-8H,3-5,9H2,1-2H3,(H2,17,18)
InChIKeySDZSNBLERWHLBA-UHFFFAOYSA-N
XLogP2.14
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.14
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'-[2-(3,5-difluorophenoxy)-2-methylpropyl]azetidine-1-carboximidamide?
The IUPAC name of N'-[2-(3,5-difluorophenoxy)-2-methylpropyl]azetidine-1-carboximidamide (CID 122096036) is N'-[2-(3,5-difluorophenoxy)-2-methylpropyl]azetidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(3,5-difluorophenoxy)-2-methylpropyl]azetidine-1-carboximidamide?
The canonical SMILES for N'-[2-(3,5-difluorophenoxy)-2-methylpropyl]azetidine-1-carboximidamide is CC(C)(C/N=C(\N)N1CCC1)Oc1cc(F)cc(F)c1.
What is the InChIKey of N'-[2-(3,5-difluorophenoxy)-2-methylpropyl]azetidine-1-carboximidamide?
The InChIKey is SDZSNBLERWHLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c1-14(2,9-18-13(17)19-4-3-5-19)20-12-7-10(15)6-11(16)8-12/h6-8H,3-5,9H2,1-2H3,(H2,17,18).
What are the key properties of N'-[2-(3,5-difluorophenoxy)-2-methylpropyl]azetidine-1-carboximidamide?
N'-[2-(3,5-difluorophenoxy)-2-methylpropyl]azetidine-1-carboximidamide has a molecular weight of 283.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-difluorophenoxy)-2-methylpropyl]azetidine-1-carboximidamide is sourced from PubChem (CID 122096036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).