(2S,6R)-2,6-dimethyl-4-[4-(3-methyl-5-propan-2-ylphenoxy)butyl]morpholine

C20H33NO2 — CID 2181705

IUPAC(2S,6R)-2,6-dimethyl-4-[4-(3-methyl-5-propan-2-ylphenoxy)butyl]morpholine
SMILESCc1cc(OCCCCN2C[C@@H](C)O[C@@H](C)C2)cc(C(C)C)c1
InChIInChI=1S/C20H33NO2/c1-15(2)19-10-16(3)11-20(12-19)22-9-7-6-8-21-13-17(4)23-18(5)14-21/h10-12,15,17-18H,6-9,13-14H2,1-5H3/t17-,18+
InChIKeyGTFXIXHZLGHJRL-HDICACEKSA-N
MW319.49 g/mol
LogP4.39
Rot. Bonds7

About (2S,6R)-2,6-dimethyl-4-[4-(3-methyl-5-propan-2-ylphenoxy)butyl]morpholine

(2S,6R)-2,6-dimethyl-4-[4-(3-methyl-5-propan-2-ylphenoxy)butyl]morpholine (PubChem CID 2181705) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-[4-(3-methyl-5-propan-2-ylphenoxy)butyl]morpholine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-[4-(3-methyl-5-propan-2-ylphenoxy)butyl]morpholine
PubChem CID2181705
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Name(2S,6R)-2,6-dimethyl-4-[4-(3-methyl-5-propan-2-ylphenoxy)butyl]morpholine
SMILESCc1cc(OCCCCN2C[C@@H](C)O[C@@H](C)C2)cc(C(C)C)c1
InChIInChI=1S/C20H33NO2/c1-15(2)19-10-16(3)11-20(12-19)22-9-7-6-8-21-13-17(4)23-18(5)14-21/h10-12,15,17-18H,6-9,13-14H2,1-5H3/t17-,18+
InChIKeyGTFXIXHZLGHJRL-HDICACEKSA-N
XLogP4.39
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,6R)-2,6-dimethyl-4-[4-(4-propan-2-ylphenoxy)butyl]morpholine
CID 2182392
(2R,6R)-4-[4-(3,4-dimethylphenoxy)butyl]-2,6-dimethylmorpholine
CID 2184552
(3S)-3-methyl-1-[2-[2-(3-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]piperidine
CID 2181514
(2S,6S)-4-[4-(4-iodophenoxy)butyl]-2,6-dimethylmorpholine
CID 2182517
1-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]piperidine
CID 803139
(2R,6S)-2,6-dimethyl-4-[2-(3-methylphenoxy)ethyl]morpholine
CID 51970005
(2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine
CID 2182958
(2R,6S)-2,6-dimethyl-4-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]morpholine
CID 887414
(2R,6R)-4-[4-(2-chloro-5-methylphenoxy)butyl]-2,6-dimethylmorpholine
CID 2182666
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)propan-1-ol
CID 104960773
(2R,6R)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholine
CID 7379895
2,6-dimethyl-4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine;oxalic acid
CID 2935770

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-[4-(3-methyl-5-propan-2-ylphenoxy)butyl]morpholine?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-[4-(3-methyl-5-propan-2-ylphenoxy)butyl]morpholine (CID 2181705) is (2S,6R)-2,6-dimethyl-4-[4-(3-methyl-5-propan-2-ylphenoxy)butyl]morpholine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-[4-(3-methyl-5-propan-2-ylphenoxy)butyl]morpholine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-[4-(3-methyl-5-propan-2-ylphenoxy)butyl]morpholine is Cc1cc(OCCCCN2C[C@@H](C)O[C@@H](C)C2)cc(C(C)C)c1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-[4-(3-methyl-5-propan-2-ylphenoxy)butyl]morpholine?
The InChIKey is GTFXIXHZLGHJRL-HDICACEKSA-N. The full InChI is InChI=1S/C20H33NO2/c1-15(2)19-10-16(3)11-20(12-19)22-9-7-6-8-21-13-17(4)23-18(5)14-21/h10-12,15,17-18H,6-9,13-14H2,1-5H3/t17-,18+.
What are the key properties of (2S,6R)-2,6-dimethyl-4-[4-(3-methyl-5-propan-2-ylphenoxy)butyl]morpholine?
(2S,6R)-2,6-dimethyl-4-[4-(3-methyl-5-propan-2-ylphenoxy)butyl]morpholine has a molecular weight of 319.49 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-4-[4-(3-methyl-5-propan-2-ylphenoxy)butyl]morpholine is sourced from PubChem (CID 2181705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).