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

C19H31NO2 — CID 2182392

IUPAC(2S,6R)-2,6-dimethyl-4-[4-(4-propan-2-ylphenoxy)butyl]morpholine
SMILESCC(C)c1ccc(OCCCCN2C[C@@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C19H31NO2/c1-15(2)18-7-9-19(10-8-18)21-12-6-5-11-20-13-16(3)22-17(4)14-20/h7-10,15-17H,5-6,11-14H2,1-4H3/t16-,17+
InChIKeyLGVLGDFURSCELP-CALCHBBNSA-N
MW305.46 g/mol
LogP4.08
Rot. Bonds7

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

(2S,6R)-2,6-dimethyl-4-[4-(4-propan-2-ylphenoxy)butyl]morpholine (PubChem CID 2182392) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-[4-(4-propan-2-ylphenoxy)butyl]morpholine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-[4-(4-propan-2-ylphenoxy)butyl]morpholine
PubChem CID2182392
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name(2S,6R)-2,6-dimethyl-4-[4-(4-propan-2-ylphenoxy)butyl]morpholine
SMILESCC(C)c1ccc(OCCCCN2C[C@@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C19H31NO2/c1-15(2)18-7-9-19(10-8-18)21-12-6-5-11-20-13-16(3)22-17(4)14-20/h7-10,15-17H,5-6,11-14H2,1-4H3/t16-,17+
InChIKeyLGVLGDFURSCELP-CALCHBBNSA-N
XLogP4.08
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.08
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,6S)-4-[4-(4-iodophenoxy)butyl]-2,6-dimethylmorpholine
CID 2182517
(2S,6R)-2,6-dimethyl-4-[4-(3-methyl-5-propan-2-ylphenoxy)butyl]morpholine
CID 2181705
4-[4-(4-chlorophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2922949
(2R,6R)-4-[4-(3,4-dimethylphenoxy)butyl]-2,6-dimethylmorpholine
CID 2184552
4-[4-(4-iodophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934842
1-(4-butoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol
CID 82073803
1-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propoxy]phenyl]ethanone
CID 7380535
4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propoxy]benzonitrile
CID 7380226
(2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine
CID 2182958
1-(2,6-dimethylmorpholin-4-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol chloride
CID 21237688
1-(2,6-dimethylmorpholin-4-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 25236981
(2R,6R)-4-[2-(4-fluorophenoxy)ethyl]-2,6-dimethylmorpholine
CID 888238

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-[4-(4-propan-2-ylphenoxy)butyl]morpholine?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-[4-(4-propan-2-ylphenoxy)butyl]morpholine (CID 2182392) is (2S,6R)-2,6-dimethyl-4-[4-(4-propan-2-ylphenoxy)butyl]morpholine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-[4-(4-propan-2-ylphenoxy)butyl]morpholine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-[4-(4-propan-2-ylphenoxy)butyl]morpholine is CC(C)c1ccc(OCCCCN2C[C@@H](C)O[C@@H](C)C2)cc1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-[4-(4-propan-2-ylphenoxy)butyl]morpholine?
The InChIKey is LGVLGDFURSCELP-CALCHBBNSA-N. The full InChI is InChI=1S/C19H31NO2/c1-15(2)18-7-9-19(10-8-18)21-12-6-5-11-20-13-16(3)22-17(4)14-20/h7-10,15-17H,5-6,11-14H2,1-4H3/t16-,17+.
What are the key properties of (2S,6R)-2,6-dimethyl-4-[4-(4-propan-2-ylphenoxy)butyl]morpholine?
(2S,6R)-2,6-dimethyl-4-[4-(4-propan-2-ylphenoxy)butyl]morpholine has a molecular weight of 305.46 g/mol, XLogP of 4.08, 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-(4-propan-2-ylphenoxy)butyl]morpholine is sourced from PubChem (CID 2182392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).