2,6-dimethyl-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine;oxalic acid

C20H31NO6 — CID 2935770

IUPAC2,6-dimethyl-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine;oxalic acid
SMILESCc1cc(OCCN2CC(C)OC(C)C2)ccc1C(C)C.O=C(O)C(=O)O
InChIInChI=1S/C18H29NO2.C2H2O4/c1-13(2)18-7-6-17(10-14(18)3)20-9-8-19-11-15(4)21-16(5)12-19;3-1(4)2(5)6/h6-7,10,13,15-16H,8-9,11-12H2,1-5H3;(H,3,4)(H,5,6)
InChIKeyBIKKEISNUIRNRV-UHFFFAOYSA-N
MW381.47 g/mol
LogP2.76
Rot. Bonds5

About 2,6-dimethyl-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine;oxalic acid

2,6-dimethyl-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine;oxalic acid (PubChem CID 2935770) has the molecular formula C20H31NO6 and a molecular weight of 381.47 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine;oxalic acid.

Molecular Properties

Compound Name2,6-dimethyl-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine;oxalic acid
PubChem CID2935770
Molecular FormulaC20H31NO6
Molecular Weight381.47 g/mol
Exact Mass381.22
IUPAC Name2,6-dimethyl-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine;oxalic acid
SMILESCc1cc(OCCN2CC(C)OC(C)C2)ccc1C(C)C.O=C(O)C(=O)O
InChIInChI=1S/C18H29NO2.C2H2O4/c1-13(2)18-7-6-17(10-14(18)3)20-9-8-19-11-15(4)21-16(5)12-19;3-1(4)2(5)6/h6-7,10,13,15-16H,8-9,11-12H2,1-5H3;(H,3,4)(H,5,6)
InChIKeyBIKKEISNUIRNRV-UHFFFAOYSA-N
XLogP2.76
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 52.76
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-(3-ethoxyphenoxy)ethyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934905
(3R,4R)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]pyrrolidine-3,4-diamine
CID 166310179
(2R,6R)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholine
CID 7379895
(3S)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperidine-3-carboxylic acid
CID 124682029
(2R,6R)-4-[4-(3,4-dimethylphenoxy)butyl]-2,6-dimethylmorpholine
CID 2184552
2-[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]acetic acid
CID 175940913
4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine
CID 3386987
4-[4-(4-iodophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934842
4-[4-(4-chlorophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2922949
3-(3-methyl-4-propan-2-ylphenoxy)propanoic acid
CID 16773331
(2S,6S)-2,6-dimethyl-4-[2-(3-phenoxyphenoxy)ethyl]morpholine
CID 887587
(2R,6S)-2,6-dimethyl-4-[2-(3-propoxyphenoxy)ethyl]morpholine
CID 7394222

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine;oxalic acid?
The IUPAC name of 2,6-dimethyl-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine;oxalic acid (CID 2935770) is 2,6-dimethyl-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine;oxalic acid.
What is the SMILES notation for 2,6-dimethyl-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine;oxalic acid?
The canonical SMILES for 2,6-dimethyl-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine;oxalic acid is Cc1cc(OCCN2CC(C)OC(C)C2)ccc1C(C)C.O=C(O)C(=O)O.
What is the InChIKey of 2,6-dimethyl-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine;oxalic acid?
The InChIKey is BIKKEISNUIRNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2.C2H2O4/c1-13(2)18-7-6-17(10-14(18)3)20-9-8-19-11-15(4)21-16(5)12-19;3-1(4)2(5)6/h6-7,10,13,15-16H,8-9,11-12H2,1-5H3;(H,3,4)(H,5,6).
What are the key properties of 2,6-dimethyl-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine;oxalic acid?
2,6-dimethyl-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine;oxalic acid has a molecular weight of 381.47 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine;oxalic acid is sourced from PubChem (CID 2935770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).