N'-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-methylmorpholine-4-carboximidamide

C15H20ClN3O — CID 120671238

IUPACN'-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-methylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/[C@@H]2C[C@H]2c2cccc(Cl)c2)CCO1
InChIInChI=1S/C15H20ClN3O/c1-10-9-19(5-6-20-10)15(17)18-14-8-13(14)11-3-2-4-12(16)7-11/h2-4,7,10,13-14H,5-6,8-9H2,1H3,(H2,17,18)/t10?,13-,14+/m0/s1
InChIKeyMDCFFVSMIBOTPP-INPHSSGZSA-N
MW293.80 g/mol
LogP2.23
Rot. Bonds2

About N'-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-methylmorpholine-4-carboximidamide

N'-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-methylmorpholine-4-carboximidamide (PubChem CID 120671238) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is N'-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-methylmorpholine-4-carboximidamide
PubChem CID120671238
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC NameN'-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-methylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/[C@@H]2C[C@H]2c2cccc(Cl)c2)CCO1
InChIInChI=1S/C15H20ClN3O/c1-10-9-19(5-6-20-10)15(17)18-14-8-13(14)11-3-2-4-12(16)7-11/h2-4,7,10,13-14H,5-6,8-9H2,1H3,(H2,17,18)/t10?,13-,14+/m0/s1
InChIKeyMDCFFVSMIBOTPP-INPHSSGZSA-N
XLogP2.23
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.23
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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Related Compounds

N'-[(1R,2S)-2-(3-ethoxyphenyl)cyclopropyl]-2-methylmorpholine-4-carboximidamide
CID 120671174
N'-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-2-methylmorpholine-4-carboximidamide
CID 120663236
N'-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120663235
N'-[(1R,2S)-2-(3-methoxyphenyl)cyclopropyl]-3-methylpiperidine-1-carboximidamide
CID 122097958
N'-[2-(3-fluorophenyl)cyclopropyl]morpholine-4-carboximidamide;hydroiodide
CID 119120458
2-methyl-N'-(2-methylcyclobutyl)morpholine-4-carboximidamide;hydroiodide
CID 120974006
N'-[3-(3,5-difluorophenyl)cyclobutyl]-2-methylmorpholine-4-carboximidamide
CID 120671753
N'-[(1R,2S,3S)-2-methyl-3-phenylcyclobutyl]morpholine-4-carboximidamide
CID 99849055
N'-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]azepane-1-carboximidamide
CID 120606046
(2S)-4-[(1R,2R)-2-(3-chlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 125152163
(2S)-4-[(1S,2R)-2-(3-chlorophenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 125152161
N'-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]azetidine-1-carboximidamide
CID 122095835

Frequently Asked Questions

What is the IUPAC name of N'-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-methylmorpholine-4-carboximidamide?
The IUPAC name of N'-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-methylmorpholine-4-carboximidamide (CID 120671238) is N'-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-methylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-methylmorpholine-4-carboximidamide?
The canonical SMILES for N'-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-methylmorpholine-4-carboximidamide is CC1CN(/C(N)=N/[C@@H]2C[C@H]2c2cccc(Cl)c2)CCO1.
What is the InChIKey of N'-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-methylmorpholine-4-carboximidamide?
The InChIKey is MDCFFVSMIBOTPP-INPHSSGZSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-10-9-19(5-6-20-10)15(17)18-14-8-13(14)11-3-2-4-12(16)7-11/h2-4,7,10,13-14H,5-6,8-9H2,1H3,(H2,17,18)/t10?,13-,14+/m0/s1.
What are the key properties of N'-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-methylmorpholine-4-carboximidamide?
N'-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-methylmorpholine-4-carboximidamide has a molecular weight of 293.80 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 120671238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).