4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol

C20H23ClN2O3 — CID 135596199

IUPAC4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol
SMILESCOc1ccc([C@H](C/N=C/c2cc(Cl)ccc2O)N2CCOCC2)cc1
InChIInChI=1S/C20H23ClN2O3/c1-25-18-5-2-15(3-6-18)19(23-8-10-26-11-9-23)14-22-13-16-12-17(21)4-7-20(16)24/h2-7,12-13,19,24H,8-11,14H2,1H3/b22-13+/t19-/m0/s1
InChIKeyARDBODZJPJUCGW-MEGCXXLRSA-N
MW374.87 g/mol
LogP3.55
Rot. Bonds6

About 4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol

4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol (PubChem CID 135596199) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol
PubChem CID135596199
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol
SMILESCOc1ccc([C@H](C/N=C/c2cc(Cl)ccc2O)N2CCOCC2)cc1
InChIInChI=1S/C20H23ClN2O3/c1-25-18-5-2-15(3-6-18)19(23-8-10-26-11-9-23)14-22-13-16-12-17(21)4-7-20(16)24/h2-7,12-13,19,24H,8-11,14H2,1H3/b22-13+/t19-/m0/s1
InChIKeyARDBODZJPJUCGW-MEGCXXLRSA-N
XLogP3.55
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol
CID 135596201
4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol
CID 135596533
4-chloro-2-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]iminomethyl]phenol
CID 135596196
5-(hydroxymethyl)-4-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]-2-methylpyridin-3-ol
CID 135828702
4-methoxy-2-[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]iminomethyl]phenol
CID 135758319
2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-[2-(4-methoxyphenyl)ethyl]guanidine
CID 110926379
4-chloro-2-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]iminomethyl]phenol
CID 136819089
1,3-diethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine
CID 102555662
4-chloro-2-[(E)-morpholin-4-yliminomethyl]phenol
CID 135842388
(3R)-3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 8022836
3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 64527154
4-(4-methoxyphenyl)-4-morpholin-4-ylbutan-1-amine
CID 112501198

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol?
The IUPAC name of 4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol (CID 135596199) is 4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol.
What is the SMILES notation for 4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol?
The canonical SMILES for 4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol is COc1ccc([C@H](C/N=C/c2cc(Cl)ccc2O)N2CCOCC2)cc1.
What is the InChIKey of 4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol?
The InChIKey is ARDBODZJPJUCGW-MEGCXXLRSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-25-18-5-2-15(3-6-18)19(23-8-10-26-11-9-23)14-22-13-16-12-17(21)4-7-20(16)24/h2-7,12-13,19,24H,8-11,14H2,1H3/b22-13+/t19-/m0/s1.
What are the key properties of 4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol?
4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol has a molecular weight of 374.87 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol is sourced from PubChem (CID 135596199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).