N'-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-2-methylmorpholine-4-carboximidamide

C16H21F2N3O2 — CID 120663236

IUPACN'-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-2-methylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)CCO1
InChIInChI=1S/C16H21F2N3O2/c1-10-9-21(6-7-22-10)16(19)20-14-8-13(14)11-2-4-12(5-3-11)23-15(17)18/h2-5,10,13-15H,6-9H2,1H3,(H2,19,20)/t10?,13-,14+/m0/s1
InChIKeyCLBONDQFTZYHBL-INPHSSGZSA-N
MW325.36 g/mol
LogP2.18
Rot. Bonds4

About N'-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-2-methylmorpholine-4-carboximidamide

N'-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-2-methylmorpholine-4-carboximidamide (PubChem CID 120663236) has the molecular formula C16H21F2N3O2 and a molecular weight of 325.36 g/mol. Its IUPAC name is N'-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-2-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-2-methylmorpholine-4-carboximidamide
PubChem CID120663236
Molecular FormulaC16H21F2N3O2
Molecular Weight325.36 g/mol
Exact Mass325.16
IUPAC NameN'-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-2-methylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)CCO1
InChIInChI=1S/C16H21F2N3O2/c1-10-9-21(6-7-22-10)16(19)20-14-8-13(14)11-2-4-12(5-3-11)23-15(17)18/h2-5,10,13-15H,6-9H2,1H3,(H2,19,20)/t10?,13-,14+/m0/s1
InChIKeyCLBONDQFTZYHBL-INPHSSGZSA-N
XLogP2.18
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.18
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'}

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Related Compounds

N'-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120663235
N'-[(1R,2S)-2-(3-ethoxyphenyl)cyclopropyl]-2-methylmorpholine-4-carboximidamide
CID 120671174
N'-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-methylmorpholine-4-carboximidamide
CID 120671238
N'-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylmorpholine-4-carboximidamide
CID 120662236
2-methyl-N'-(2-methylcyclobutyl)morpholine-4-carboximidamide;hydroiodide
CID 120974006
N'-[3-(3,5-difluorophenyl)cyclobutyl]-2-methylmorpholine-4-carboximidamide
CID 120671753
2-methyl-N'-(2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide
CID 120662194
N'-[(1R,2S)-2-(3-methoxyphenyl)cyclopropyl]-3-methylpiperidine-1-carboximidamide
CID 122097958
N'-[(1R,2S,3S)-2-methyl-3-phenylcyclobutyl]morpholine-4-carboximidamide
CID 99849055
1-[2-[4-(difluoromethoxy)phenyl]morpholin-4-yl]-2-hydroxyethanone
CID 136545989
cis-(1R,2R)-2-[4-(difluoromethoxy)phenyl]cyclopropan-1-amine
CID 51888254
N'-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120606097

Frequently Asked Questions

What is the IUPAC name of N'-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-2-methylmorpholine-4-carboximidamide?
The IUPAC name of N'-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-2-methylmorpholine-4-carboximidamide (CID 120663236) is N'-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-2-methylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-2-methylmorpholine-4-carboximidamide?
The canonical SMILES for N'-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-2-methylmorpholine-4-carboximidamide is CC1CN(/C(N)=N/[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)CCO1.
What is the InChIKey of N'-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-2-methylmorpholine-4-carboximidamide?
The InChIKey is CLBONDQFTZYHBL-INPHSSGZSA-N. The full InChI is InChI=1S/C16H21F2N3O2/c1-10-9-21(6-7-22-10)16(19)20-14-8-13(14)11-2-4-12(5-3-11)23-15(17)18/h2-5,10,13-15H,6-9H2,1H3,(H2,19,20)/t10?,13-,14+/m0/s1.
What are the key properties of N'-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-2-methylmorpholine-4-carboximidamide?
N'-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-2-methylmorpholine-4-carboximidamide has a molecular weight of 325.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-2-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 120663236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).