2-(4-chlorophenyl)-N'-(2-hydroxy-3-morpholin-4-ylpropoxy)ethanimidamide

C15H22ClN3O3 — CID 13207781

IUPAC2-(4-chlorophenyl)-N'-(2-hydroxy-3-morpholin-4-ylpropoxy)ethanimidamide
SMILESN/C(Cc1ccc(Cl)cc1)=N\OCC(O)CN1CCOCC1
InChIInChI=1S/C15H22ClN3O3/c16-13-3-1-12(2-4-13)9-15(17)18-22-11-14(20)10-19-5-7-21-8-6-19/h1-4,14,20H,5-11H2,(H2,17,18)
InChIKeyWNFFFEWULXGKGC-UHFFFAOYSA-N
MW327.81 g/mol
LogP0.86
Rot. Bonds7

About 2-(4-chlorophenyl)-N'-(2-hydroxy-3-morpholin-4-ylpropoxy)ethanimidamide

2-(4-chlorophenyl)-N'-(2-hydroxy-3-morpholin-4-ylpropoxy)ethanimidamide (PubChem CID 13207781) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N'-(2-hydroxy-3-morpholin-4-ylpropoxy)ethanimidamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N'-(2-hydroxy-3-morpholin-4-ylpropoxy)ethanimidamide
PubChem CID13207781
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC Name2-(4-chlorophenyl)-N'-(2-hydroxy-3-morpholin-4-ylpropoxy)ethanimidamide
SMILESN/C(Cc1ccc(Cl)cc1)=N\OCC(O)CN1CCOCC1
InChIInChI=1S/C15H22ClN3O3/c16-13-3-1-12(2-4-13)9-15(17)18-22-11-14(20)10-19-5-7-21-8-6-19/h1-4,14,20H,5-11H2,(H2,17,18)
InChIKeyWNFFFEWULXGKGC-UHFFFAOYSA-N
XLogP0.86
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-hydroxy-3-morpholin-4-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride
CID 20557062
2-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]acetamide
CID 7100169
(2S)-1-(4-chloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 92856830
1-[(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol
CID 2740188
(2S)-1-(2-chlorophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 34207051
1-chloro-3-piperidin-1-ylpropan-2-ol;N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride
CID 173436955
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-[4-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 71960280
1-(4-chlorophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3747847
1-[4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 45230545
1-[(3,4-dimethoxyphenyl)methoxy]-3-morpholin-4-ylpropan-2-ol
CID 2769761
1-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
CID 39981125
[(2S)-2-hydroxy-3-morpholin-4-ylpropyl] acetate
CID 71177850

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N'-(2-hydroxy-3-morpholin-4-ylpropoxy)ethanimidamide?
The IUPAC name of 2-(4-chlorophenyl)-N'-(2-hydroxy-3-morpholin-4-ylpropoxy)ethanimidamide (CID 13207781) is 2-(4-chlorophenyl)-N'-(2-hydroxy-3-morpholin-4-ylpropoxy)ethanimidamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N'-(2-hydroxy-3-morpholin-4-ylpropoxy)ethanimidamide?
The canonical SMILES for 2-(4-chlorophenyl)-N'-(2-hydroxy-3-morpholin-4-ylpropoxy)ethanimidamide is N/C(Cc1ccc(Cl)cc1)=N\OCC(O)CN1CCOCC1.
What is the InChIKey of 2-(4-chlorophenyl)-N'-(2-hydroxy-3-morpholin-4-ylpropoxy)ethanimidamide?
The InChIKey is WNFFFEWULXGKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3/c16-13-3-1-12(2-4-13)9-15(17)18-22-11-14(20)10-19-5-7-21-8-6-19/h1-4,14,20H,5-11H2,(H2,17,18).
What are the key properties of 2-(4-chlorophenyl)-N'-(2-hydroxy-3-morpholin-4-ylpropoxy)ethanimidamide?
2-(4-chlorophenyl)-N'-(2-hydroxy-3-morpholin-4-ylpropoxy)ethanimidamide has a molecular weight of 327.81 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N'-(2-hydroxy-3-morpholin-4-ylpropoxy)ethanimidamide is sourced from PubChem (CID 13207781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).