N'-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylmorpholine-4-carboximidamide

C15H22ClN3O2 — CID 120662236

IUPACN'-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/C[C@H](C)Oc2ccc(Cl)cc2)CCO1
InChIInChI=1S/C15H22ClN3O2/c1-11(21-14-5-3-13(16)4-6-14)9-18-15(17)19-7-8-20-12(2)10-19/h3-6,11-12H,7-10H2,1-2H3,(H2,17,18)/t11-,12?/m0/s1
InChIKeyFFUYGQUBBYAPRM-PXYINDEMSA-N
MW311.81 g/mol
LogP2.14
Rot. Bonds4

About N'-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylmorpholine-4-carboximidamide

N'-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylmorpholine-4-carboximidamide (PubChem CID 120662236) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N'-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylmorpholine-4-carboximidamide
PubChem CID120662236
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN'-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/C[C@H](C)Oc2ccc(Cl)cc2)CCO1
InChIInChI=1S/C15H22ClN3O2/c1-11(21-14-5-3-13(16)4-6-14)9-18-15(17)19-7-8-20-12(2)10-19/h3-6,11-12H,7-10H2,1-2H3,(H2,17,18)/t11-,12?/m0/s1
InChIKeyFFUYGQUBBYAPRM-PXYINDEMSA-N
XLogP2.14
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.14
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'-[2-(2-bromophenoxy)propyl]-2-methylmorpholine-4-carboximidamide
CID 120661576
N'-[2-(4-chlorophenoxy)propyl]thiomorpholine-4-carboximidamide
CID 111820434
N'-[2-(4-fluorophenoxy)propyl]-3-methylpiperidine-1-carboximidamide
CID 111820282
N'-(2-phenoxypropyl)morpholine-4-carboximidamide
CID 111801506
N'-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661861
4-methyl-N'-[2-(4-methylphenoxy)propyl]piperidine-1-carboximidamide
CID 111465531
N'-(2-methoxy-3,3-dimethylbutyl)-2-methylmorpholine-4-carboximidamide
CID 120661582
2-(4-chlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
CID 52985807
N'-[2-(4-fluorophenoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111465592
N'-[2-(2,3-dihydroindol-1-yl)propyl]-2-methylmorpholine-4-carboximidamide
CID 120661302
2-[2-(4-chlorophenoxy)propyl]-1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide
CID 111680557
N'-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methylmorpholine-4-carboximidamide
CID 120661286

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylmorpholine-4-carboximidamide?
The IUPAC name of N'-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylmorpholine-4-carboximidamide (CID 120662236) is N'-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylmorpholine-4-carboximidamide?
The canonical SMILES for N'-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylmorpholine-4-carboximidamide is CC1CN(/C(N)=N/C[C@H](C)Oc2ccc(Cl)cc2)CCO1.
What is the InChIKey of N'-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylmorpholine-4-carboximidamide?
The InChIKey is FFUYGQUBBYAPRM-PXYINDEMSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-11(21-14-5-3-13(16)4-6-14)9-18-15(17)19-7-8-20-12(2)10-19/h3-6,11-12H,7-10H2,1-2H3,(H2,17,18)/t11-,12?/m0/s1.
What are the key properties of N'-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylmorpholine-4-carboximidamide?
N'-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylmorpholine-4-carboximidamide has a molecular weight of 311.81 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 120662236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).