4-[3-(2-tert-butyl-4-chlorophenoxy)propyl]-2,6-dimethylmorpholine

C19H30ClNO2 — CID 2935442

IUPAC4-[3-(2-tert-butyl-4-chlorophenoxy)propyl]-2,6-dimethylmorpholine
SMILESCC1CN(CCCOc2ccc(Cl)cc2C(C)(C)C)CC(C)O1
InChIInChI=1S/C19H30ClNO2/c1-14-12-21(13-15(2)23-14)9-6-10-22-18-8-7-16(20)11-17(18)19(3,4)5/h7-8,11,14-15H,6,9-10,12-13H2,1-5H3
InChIKeyXLYSZANINBJJJD-UHFFFAOYSA-N
MW339.91 g/mol
LogP4.52
Rot. Bonds5

About 4-[3-(2-tert-butyl-4-chlorophenoxy)propyl]-2,6-dimethylmorpholine

4-[3-(2-tert-butyl-4-chlorophenoxy)propyl]-2,6-dimethylmorpholine (PubChem CID 2935442) has the molecular formula C19H30ClNO2 and a molecular weight of 339.91 g/mol. Its IUPAC name is 4-[3-(2-tert-butyl-4-chlorophenoxy)propyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[3-(2-tert-butyl-4-chlorophenoxy)propyl]-2,6-dimethylmorpholine
PubChem CID2935442
Molecular FormulaC19H30ClNO2
Molecular Weight339.91 g/mol
Exact Mass339.20
IUPAC Name4-[3-(2-tert-butyl-4-chlorophenoxy)propyl]-2,6-dimethylmorpholine
SMILESCC1CN(CCCOc2ccc(Cl)cc2C(C)(C)C)CC(C)O1
InChIInChI=1S/C19H30ClNO2/c1-14-12-21(13-15(2)23-14)9-6-10-22-18-8-7-16(20)11-17(18)19(3,4)5/h7-8,11,14-15H,6,9-10,12-13H2,1-5H3
InChIKeyXLYSZANINBJJJD-UHFFFAOYSA-N
XLogP4.52
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.91
LogP ≤ 54.52
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-(2,5-dichlorophenoxy)propyl]-2,6-dimethylmorpholine
CID 2182592
(2R,6R)-4-[3-(2-tert-butyl-4-chlorophenoxy)propyl]-2,6-dimethylmorpholin-4-ium
CID 2183415
(2R,6R)-4-[2-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine
CID 2183742
(2S,6S)-4-[4-(2-tert-butyl-4-chlorophenoxy)butyl]-2,6-dimethylmorpholin-4-ium
CID 2181334
1-[4-(2-tert-butyl-4-chlorophenoxy)butyl]-4-methylpiperazine
CID 2299696
4-[3-(4-bromo-2-chlorophenoxy)propyl]-2,6-dimethylmorpholine
CID 2935526
(2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine
CID 2182958
(2R,6R)-4-[4-(2-chloro-5-methylphenoxy)butyl]-2,6-dimethylmorpholine
CID 2182666
N-[3-(2-tert-butyl-4-chlorophenoxy)propyl]-2-methylpropan-2-amine
CID 2298399
2,6-dimethyl-4-[3-(2-phenylphenoxy)propyl]morpholine
CID 2935512
4-[4-(4-chlorophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2922949
2-(2-tert-butyl-4-chlorophenoxy)ethyl-dimethylazanium
CID 7413417

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-tert-butyl-4-chlorophenoxy)propyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[3-(2-tert-butyl-4-chlorophenoxy)propyl]-2,6-dimethylmorpholine (CID 2935442) is 4-[3-(2-tert-butyl-4-chlorophenoxy)propyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[3-(2-tert-butyl-4-chlorophenoxy)propyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[3-(2-tert-butyl-4-chlorophenoxy)propyl]-2,6-dimethylmorpholine is CC1CN(CCCOc2ccc(Cl)cc2C(C)(C)C)CC(C)O1.
What is the InChIKey of 4-[3-(2-tert-butyl-4-chlorophenoxy)propyl]-2,6-dimethylmorpholine?
The InChIKey is XLYSZANINBJJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClNO2/c1-14-12-21(13-15(2)23-14)9-6-10-22-18-8-7-16(20)11-17(18)19(3,4)5/h7-8,11,14-15H,6,9-10,12-13H2,1-5H3.
What are the key properties of 4-[3-(2-tert-butyl-4-chlorophenoxy)propyl]-2,6-dimethylmorpholine?
4-[3-(2-tert-butyl-4-chlorophenoxy)propyl]-2,6-dimethylmorpholine has a molecular weight of 339.91 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-tert-butyl-4-chlorophenoxy)propyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 2935442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).