4-[3-(2-butan-2-ylphenoxy)propyl]-2,6-dimethylmorpholine

C19H31NO2 — CID 2935581

IUPAC4-[3-(2-butan-2-ylphenoxy)propyl]-2,6-dimethylmorpholine
SMILESCCC(C)c1ccccc1OCCCN1CC(C)OC(C)C1
InChIInChI=1S/C19H31NO2/c1-5-15(2)18-9-6-7-10-19(18)21-12-8-11-20-13-16(3)22-17(4)14-20/h6-7,9-10,15-17H,5,8,11-14H2,1-4H3
InChIKeyLIMGGLWMINDYAX-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.08
Rot. Bonds7

About 4-[3-(2-butan-2-ylphenoxy)propyl]-2,6-dimethylmorpholine

4-[3-(2-butan-2-ylphenoxy)propyl]-2,6-dimethylmorpholine (PubChem CID 2935581) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 4-[3-(2-butan-2-ylphenoxy)propyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[3-(2-butan-2-ylphenoxy)propyl]-2,6-dimethylmorpholine
PubChem CID2935581
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name4-[3-(2-butan-2-ylphenoxy)propyl]-2,6-dimethylmorpholine
SMILESCCC(C)c1ccccc1OCCCN1CC(C)OC(C)C1
InChIInChI=1S/C19H31NO2/c1-5-15(2)18-9-6-7-10-19(18)21-12-8-11-20-13-16(3)22-17(4)14-20/h6-7,9-10,15-17H,5,8,11-14H2,1-4H3
InChIKeyLIMGGLWMINDYAX-UHFFFAOYSA-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-[3-[2-[(2R)-butan-2-yl]phenoxy]propyl]-2,6-dimethylmorpholine
CID 6359907
1-[4-(2-butan-2-ylphenoxy)butyl]-4-methylpiperidine
CID 2924362
2,6-dimethyl-4-[3-(2-phenylphenoxy)propyl]morpholine
CID 2935512
(2R,6S)-2,6-dimethyl-4-[3-(2-prop-2-enoxyphenoxy)propyl]morpholine
CID 7379543
(2R,6R)-4-[4-(2-methoxyphenoxy)butyl]-2,6-dimethylmorpholine
CID 2582416
2-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propoxy]benzonitrile
CID 7379961
(2R,6R)-2,6-dimethyl-4-[2-(2-propoxyphenoxy)ethyl]morpholine
CID 7394194
(2S,6S)-2,6-dimethyl-4-[2-(2-propoxyphenoxy)ethyl]morpholine
CID 7394196
(3R)-1-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]-3-methylpiperidine
CID 6544925
1-[2-[3-(2,6-dimethylmorpholin-4-yl)propoxy]phenyl]ethanone;hydrochloride
CID 2996173
(2R,6R)-4-[2-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]ethyl]-2,6-dimethylmorpholin-4-ium
CID 7413497
(2R,6R)-4-[3-(2,6-dimethoxyphenoxy)propyl]-2,6-dimethylmorpholine
CID 2181811

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-butan-2-ylphenoxy)propyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[3-(2-butan-2-ylphenoxy)propyl]-2,6-dimethylmorpholine (CID 2935581) is 4-[3-(2-butan-2-ylphenoxy)propyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[3-(2-butan-2-ylphenoxy)propyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[3-(2-butan-2-ylphenoxy)propyl]-2,6-dimethylmorpholine is CCC(C)c1ccccc1OCCCN1CC(C)OC(C)C1.
What is the InChIKey of 4-[3-(2-butan-2-ylphenoxy)propyl]-2,6-dimethylmorpholine?
The InChIKey is LIMGGLWMINDYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-5-15(2)18-9-6-7-10-19(18)21-12-8-11-20-13-16(3)22-17(4)14-20/h6-7,9-10,15-17H,5,8,11-14H2,1-4H3.
What are the key properties of 4-[3-(2-butan-2-ylphenoxy)propyl]-2,6-dimethylmorpholine?
4-[3-(2-butan-2-ylphenoxy)propyl]-2,6-dimethylmorpholine 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 4-[3-(2-butan-2-ylphenoxy)propyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 2935581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).