4-[6-(2-methylphenoxy)hexyl]morpholine

C17H27NO2 — CID 5114307

IUPAC4-[6-(2-methylphenoxy)hexyl]morpholine
SMILESCc1ccccc1OCCCCCCN1CCOCC1
InChIInChI=1S/C17H27NO2/c1-16-8-4-5-9-17(16)20-13-7-3-2-6-10-18-11-14-19-15-12-18/h4-5,8-9H,2-3,6-7,10-15H2,1H3
InChIKeyHFZVZYZICDFKPA-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.27
Rot. Bonds8

About 4-[6-(2-methylphenoxy)hexyl]morpholine

4-[6-(2-methylphenoxy)hexyl]morpholine (PubChem CID 5114307) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-[6-(2-methylphenoxy)hexyl]morpholine.

Molecular Properties

Compound Name4-[6-(2-methylphenoxy)hexyl]morpholine
PubChem CID5114307
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name4-[6-(2-methylphenoxy)hexyl]morpholine
SMILESCc1ccccc1OCCCCCCN1CCOCC1
InChIInChI=1S/C17H27NO2/c1-16-8-4-5-9-17(16)20-13-7-3-2-6-10-18-11-14-19-15-12-18/h4-5,8-9H,2-3,6-7,10-15H2,1H3
InChIKeyHFZVZYZICDFKPA-UHFFFAOYSA-N
XLogP3.27
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.27
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

ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
2-(6-morpholin-4-ylhexoxy)phenol
CID 10149383
2-(8-morpholin-4-yloctoxy)phenol
CID 10193177
4-[4-(2-propoxyphenoxy)butyl]morpholine;hydrochloride
CID 2994701
4-[4-(2-butoxyphenoxy)butyl]morpholine;hydrochloride
CID 2993517
2-(4-morpholin-4-ylbutoxy)phenol
CID 10214621
4-[4-(2,5-dimethylphenoxy)butyl]morpholine
CID 2245898
ethane;4-methoxy-1,2-dimethylbenzene;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 143832588
3-[5-(2-methylphenoxy)pentyl]-1,3-thiazolidine;hydrochloride
CID 21153416
4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine
CID 170869645
3-methyl-4-(3-morpholin-4-ylpropoxy)aniline
CID 171834800
4-[3-(4-tert-butyl-2-methylphenoxy)propyl]morpholine
CID 2582852

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-methylphenoxy)hexyl]morpholine?
The IUPAC name of 4-[6-(2-methylphenoxy)hexyl]morpholine (CID 5114307) is 4-[6-(2-methylphenoxy)hexyl]morpholine.
What is the SMILES notation for 4-[6-(2-methylphenoxy)hexyl]morpholine?
The canonical SMILES for 4-[6-(2-methylphenoxy)hexyl]morpholine is Cc1ccccc1OCCCCCCN1CCOCC1.
What is the InChIKey of 4-[6-(2-methylphenoxy)hexyl]morpholine?
The InChIKey is HFZVZYZICDFKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-16-8-4-5-9-17(16)20-13-7-3-2-6-10-18-11-14-19-15-12-18/h4-5,8-9H,2-3,6-7,10-15H2,1H3.
What are the key properties of 4-[6-(2-methylphenoxy)hexyl]morpholine?
4-[6-(2-methylphenoxy)hexyl]morpholine has a molecular weight of 277.41 g/mol, XLogP of 3.27, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-methylphenoxy)hexyl]morpholine is sourced from PubChem (CID 5114307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).