4-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]morpholine;oxalic acid

C22H26ClNO6 — CID 18986847

IUPAC4-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]morpholine;oxalic acid
SMILESClc1ccc(OCCc2ccccc2)c(CCN2CCOCC2)c1.O=C(O)C(=O)O
InChIInChI=1S/C20H24ClNO2.C2H2O4/c21-19-6-7-20(24-13-9-17-4-2-1-3-5-17)18(16-19)8-10-22-11-14-23-15-12-22;3-1(4)2(5)6/h1-7,16H,8-15H2;(H,3,4)(H,5,6)
InChIKeyRJYIHDORWSQAKI-UHFFFAOYSA-N
MW435.90 g/mol
LogP2.99
Rot. Bonds7

About 4-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]morpholine;oxalic acid

4-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]morpholine;oxalic acid (PubChem CID 18986847) has the molecular formula C22H26ClNO6 and a molecular weight of 435.90 g/mol. Its IUPAC name is 4-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]morpholine;oxalic acid.

Molecular Properties

Compound Name4-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]morpholine;oxalic acid
PubChem CID18986847
Molecular FormulaC22H26ClNO6
Molecular Weight435.90 g/mol
Exact Mass435.14
IUPAC Name4-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]morpholine;oxalic acid
SMILESClc1ccc(OCCc2ccccc2)c(CCN2CCOCC2)c1.O=C(O)C(=O)O
InChIInChI=1S/C20H24ClNO2.C2H2O4/c21-19-6-7-20(24-13-9-17-4-2-1-3-5-17)18(16-19)8-10-22-11-14-23-15-12-22;3-1(4)2(5)6/h1-7,16H,8-15H2;(H,3,4)(H,5,6)
InChIKeyRJYIHDORWSQAKI-UHFFFAOYSA-N
XLogP2.99
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.90
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-{2-[2-(2-Biphenylyloxy)ethoxy]ethyl}morpholine oxalate
CID 2923755
N-benzyl-2-(4-chloro-2,6-dimethylphenoxy)ethanamine oxalate
CID 2934159
1-[(4-Chloro-2-methylphenoxy)acetyl]-3,5-dimethylpiperidine
CID 2931607
1-[4-(4-Chlorophenoxy)butyl]piperidine;oxalic acid
CID 24761474
N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-N-propylpropan-1-amine;oxalic acid
CID 18986840
N-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid
CID 18986854
N-[2-[3,5-dichloro-2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid
CID 18986855
N-[2-[5-chloro-2-(3-phenylpropoxy)phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid
CID 18986865
N,N-di-n-propyl-4-[5-chloro-2-(2-phenylethoxy)phenyl]butylamine oxalate
CID 18986873
1-[2-[5-Chloro-2-(2-phenylethoxy)phenyl]ethyl]pyrrolidine;oxalic acid
CID 18986899
oxalic acid;N-[2-[2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine
CID 18986909
2-[[(2R)-1-[4-[(3-chlorophenyl)methoxy]phenyl]propan-2-yl]-methylamino]acetic acid
CID 117939779

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]morpholine;oxalic acid?
The IUPAC name of 4-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]morpholine;oxalic acid (CID 18986847) is 4-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]morpholine;oxalic acid.
What is the SMILES notation for 4-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]morpholine;oxalic acid?
The canonical SMILES for 4-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]morpholine;oxalic acid is Clc1ccc(OCCc2ccccc2)c(CCN2CCOCC2)c1.O=C(O)C(=O)O.
What is the InChIKey of 4-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]morpholine;oxalic acid?
The InChIKey is RJYIHDORWSQAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO2.C2H2O4/c21-19-6-7-20(24-13-9-17-4-2-1-3-5-17)18(16-19)8-10-22-11-14-23-15-12-22;3-1(4)2(5)6/h1-7,16H,8-15H2;(H,3,4)(H,5,6).
What are the key properties of 4-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]morpholine;oxalic acid?
4-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]morpholine;oxalic acid has a molecular weight of 435.90 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]morpholine;oxalic acid is sourced from PubChem (CID 18986847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).