N'-[2-(3,5-difluorophenoxy)-2-methylpropyl]-2-methylmorpholine-4-carboximidamide;hydroiodide

C16H24F2IN3O2 — CID 120973008

IUPACN'-[2-(3,5-difluorophenoxy)-2-methylpropyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
SMILESCC1CN(/C(N)=N/CC(C)(C)Oc2cc(F)cc(F)c2)CCO1.I
InChIInChI=1S/C16H23F2N3O2.HI/c1-11-9-21(4-5-22-11)15(19)20-10-16(2,3)23-14-7-12(17)6-13(18)8-14;/h6-8,11H,4-5,9-10H2,1-3H3,(H2,19,20);1H
InChIKeyAONNWCXICHWGKD-UHFFFAOYSA-N
MW455.29 g/mol
LogP2.78
Rot. Bonds4

About N'-[2-(3,5-difluorophenoxy)-2-methylpropyl]-2-methylmorpholine-4-carboximidamide;hydroiodide

N'-[2-(3,5-difluorophenoxy)-2-methylpropyl]-2-methylmorpholine-4-carboximidamide;hydroiodide (PubChem CID 120973008) has the molecular formula C16H24F2IN3O2 and a molecular weight of 455.29 g/mol. Its IUPAC name is N'-[2-(3,5-difluorophenoxy)-2-methylpropyl]-2-methylmorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(3,5-difluorophenoxy)-2-methylpropyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
PubChem CID120973008
Molecular FormulaC16H24F2IN3O2
Molecular Weight455.29 g/mol
Exact Mass455.09
IUPAC NameN'-[2-(3,5-difluorophenoxy)-2-methylpropyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
SMILESCC1CN(/C(N)=N/CC(C)(C)Oc2cc(F)cc(F)c2)CCO1.I
InChIInChI=1S/C16H23F2N3O2.HI/c1-11-9-21(4-5-22-11)15(19)20-10-16(2,3)23-14-7-12(17)6-13(18)8-14;/h6-8,11H,4-5,9-10H2,1-3H3,(H2,19,20);1H
InChIKeyAONNWCXICHWGKD-UHFFFAOYSA-N
XLogP2.78
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(3,5-difluorophenoxy)-2-methylpropyl]azetidine-1-carboximidamide
CID 122096036
N'-(2-methoxy-2-methylpropyl)-2-methylmorpholine-4-carboximidamide
CID 120661722
2-methyl-N'-(2-methyl-2-piperidin-1-ylpropyl)morpholine-4-carboximidamide;hydroiodide
CID 120661073
N'-(2-methoxy-3,3-dimethylbutyl)-2-methylmorpholine-4-carboximidamide
CID 120661582
N'-[3-(3,5-difluorophenyl)cyclobutyl]-2-methylmorpholine-4-carboximidamide
CID 120671753
N'-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661827
N'-(2-ethyl-2-methylsulfanylbutyl)-2-methylmorpholine-4-carboximidamide
CID 120661776
N'-[2-(tert-butylamino)ethyl]-2-methylmorpholine-4-carboximidamide
CID 120661618
2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-tert-butylacetamide;hydroiodide
CID 120661115
N'-(2-tert-butylsulfinylethyl)-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661691
N'-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylmorpholine-4-carboximidamide
CID 120662236
N'-(3-cyclopropyl-3-methylbutyl)-2-methylmorpholine-4-carboximidamide
CID 122096622

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-difluorophenoxy)-2-methylpropyl]-2-methylmorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(3,5-difluorophenoxy)-2-methylpropyl]-2-methylmorpholine-4-carboximidamide;hydroiodide (CID 120973008) is N'-[2-(3,5-difluorophenoxy)-2-methylpropyl]-2-methylmorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(3,5-difluorophenoxy)-2-methylpropyl]-2-methylmorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(3,5-difluorophenoxy)-2-methylpropyl]-2-methylmorpholine-4-carboximidamide;hydroiodide is CC1CN(/C(N)=N/CC(C)(C)Oc2cc(F)cc(F)c2)CCO1.I.
What is the InChIKey of N'-[2-(3,5-difluorophenoxy)-2-methylpropyl]-2-methylmorpholine-4-carboximidamide;hydroiodide?
The InChIKey is AONNWCXICHWGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O2.HI/c1-11-9-21(4-5-22-11)15(19)20-10-16(2,3)23-14-7-12(17)6-13(18)8-14;/h6-8,11H,4-5,9-10H2,1-3H3,(H2,19,20);1H.
What are the key properties of N'-[2-(3,5-difluorophenoxy)-2-methylpropyl]-2-methylmorpholine-4-carboximidamide;hydroiodide?
N'-[2-(3,5-difluorophenoxy)-2-methylpropyl]-2-methylmorpholine-4-carboximidamide;hydroiodide has a molecular weight of 455.29 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-difluorophenoxy)-2-methylpropyl]-2-methylmorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 120973008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).