2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholine;oxalic acid

C24H31NO6 — CID 2936091

IUPAC2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholine;oxalic acid
SMILESCC1CN(CCCCOc2ccccc2-c2ccccc2)CC(C)O1.O=C(O)C(=O)O
InChIInChI=1S/C22H29NO2.C2H2O4/c1-18-16-23(17-19(2)25-18)14-8-9-15-24-22-13-7-6-12-21(22)20-10-4-3-5-11-20;3-1(4)2(5)6/h3-7,10-13,18-19H,8-9,14-17H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyWWJKOQYPBNCBIQ-UHFFFAOYSA-N
MW429.51 g/mol
LogP3.78
Rot. Bonds7

About 2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholine;oxalic acid

2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholine;oxalic acid (PubChem CID 2936091) has the molecular formula C24H31NO6 and a molecular weight of 429.51 g/mol. Its IUPAC name is 2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholine;oxalic acid.

Molecular Properties

Compound Name2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholine;oxalic acid
PubChem CID2936091
Molecular FormulaC24H31NO6
Molecular Weight429.51 g/mol
Exact Mass429.22
IUPAC Name2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholine;oxalic acid
SMILESCC1CN(CCCCOc2ccccc2-c2ccccc2)CC(C)O1.O=C(O)C(=O)O
InChIInChI=1S/C22H29NO2.C2H2O4/c1-18-16-23(17-19(2)25-18)14-8-9-15-24-22-13-7-6-12-21(22)20-10-4-3-5-11-20;3-1(4)2(5)6/h3-7,10-13,18-19H,8-9,14-17H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyWWJKOQYPBNCBIQ-UHFFFAOYSA-N
XLogP3.78
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethyl-4-[3-(2-phenylphenoxy)propyl]morpholine
CID 2935512
4-[4-(2-bromophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934524
(2R,6R)-2,6-dimethyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine
CID 7412761
(2R,6R)-4-[4-(2-methoxyphenoxy)butyl]-2,6-dimethylmorpholine
CID 2582416
1-[2-[4-(2,6-dimethylmorpholin-4-yl)butoxy]phenyl]ethanone;hydrochloride
CID 2992912
1-[2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butoxy]phenyl]propan-1-one
CID 7380349
1-ethyl-4-[3-(2-phenylphenoxy)propyl]piperazine;oxalic acid
CID 2961405
1-[2-[3-(2,6-dimethylmorpholin-4-yl)propoxy]phenyl]ethanone;hydrochloride
CID 2996173
4-[4-(4-chloro-2,3-dimethylphenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934960
2-[4-(2,6-dimethylmorpholin-4-yl)butoxy]benzonitrile
CID 2996447
4-[4-(4-chlorophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2922949
4-[4-(4-iodophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934842

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholine;oxalic acid?
The IUPAC name of 2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholine;oxalic acid (CID 2936091) is 2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholine;oxalic acid.
What is the SMILES notation for 2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholine;oxalic acid?
The canonical SMILES for 2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholine;oxalic acid is CC1CN(CCCCOc2ccccc2-c2ccccc2)CC(C)O1.O=C(O)C(=O)O.
What is the InChIKey of 2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholine;oxalic acid?
The InChIKey is WWJKOQYPBNCBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2.C2H2O4/c1-18-16-23(17-19(2)25-18)14-8-9-15-24-22-13-7-6-12-21(22)20-10-4-3-5-11-20;3-1(4)2(5)6/h3-7,10-13,18-19H,8-9,14-17H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholine;oxalic acid?
2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholine;oxalic acid has a molecular weight of 429.51 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholine;oxalic acid is sourced from PubChem (CID 2936091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).