2,4-dichloro-6-[[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]iminomethyl]phenol

C20H22Cl2N2O2 — CID 135758405

IUPAC2,4-dichloro-6-[[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]iminomethyl]phenol
SMILESC[C@@H](/N=C/c1cc(Cl)cc(Cl)c1O)[C@@H](c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H22Cl2N2O2/c1-14(23-13-16-11-17(21)12-18(22)20(16)25)19(15-5-3-2-4-6-15)24-7-9-26-10-8-24/h2-6,11-14,19,25H,7-10H2,1H3/b23-13+/t14-,19+/m1/s1
InChIKeyTWHUNFNOGXNIRA-HXCVSQATSA-N
MW393.31 g/mol
LogP4.58
Rot. Bonds5

About 2,4-dichloro-6-[[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]iminomethyl]phenol

2,4-dichloro-6-[[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]iminomethyl]phenol (PubChem CID 135758405) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is 2,4-dichloro-6-[[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]iminomethyl]phenol
PubChem CID135758405
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name2,4-dichloro-6-[[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]iminomethyl]phenol
SMILESC[C@@H](/N=C/c1cc(Cl)cc(Cl)c1O)[C@@H](c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H22Cl2N2O2/c1-14(23-13-16-11-17(21)12-18(22)20(16)25)19(15-5-3-2-4-6-15)24-7-9-26-10-8-24/h2-6,11-14,19,25H,7-10H2,1H3/b23-13+/t14-,19+/m1/s1
InChIKeyTWHUNFNOGXNIRA-HXCVSQATSA-N
XLogP4.58
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S,3S)-2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-hydroxy-3-phenylpropanoate
CID 1352916
1-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-[(1R)-1-phenylethyl]thiourea
CID 136870139
1-(4-chlorophenyl)-3-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiourea
CID 3885285
2,4-dichloro-6-[(E)-hydrazinylidenemethyl]phenol
CID 135445572
2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
CID 8555472
1-(3,4-dichlorophenyl)-3-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea
CID 2326040
1-(3,4-dichlorophenyl)-3-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]urea
CID 2326038
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 137077970
(3S,4S)-3,4-dimorpholin-4-yl-4-phenylbutan-2-one
CID 680065
(2R)-N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 136909038
4-chloro-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]benzenesulfonamide
CID 2328593
(2S,3S)-2,3-dimorpholin-4-yl-3-phenyl-1-(3-propan-2-ylphenyl)propan-1-one
CID 92573632

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]iminomethyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]iminomethyl]phenol (CID 135758405) is 2,4-dichloro-6-[[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]iminomethyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]iminomethyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]iminomethyl]phenol is C[C@@H](/N=C/c1cc(Cl)cc(Cl)c1O)[C@@H](c1ccccc1)N1CCOCC1.
What is the InChIKey of 2,4-dichloro-6-[[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]iminomethyl]phenol?
The InChIKey is TWHUNFNOGXNIRA-HXCVSQATSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-14(23-13-16-11-17(21)12-18(22)20(16)25)19(15-5-3-2-4-6-15)24-7-9-26-10-8-24/h2-6,11-14,19,25H,7-10H2,1H3/b23-13+/t14-,19+/m1/s1.
What are the key properties of 2,4-dichloro-6-[[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]iminomethyl]phenol?
2,4-dichloro-6-[[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]iminomethyl]phenol has a molecular weight of 393.31 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]iminomethyl]phenol is sourced from PubChem (CID 135758405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).