4-[4-(2,5-dimethylphenoxy)butyl]morpholine

C16H25NO2 — CID 2245898

IUPAC4-[4-(2,5-dimethylphenoxy)butyl]morpholine
SMILESCc1ccc(C)c(OCCCCN2CCOCC2)c1
InChIInChI=1S/C16H25NO2/c1-14-5-6-15(2)16(13-14)19-10-4-3-7-17-8-11-18-12-9-17/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyHGBYSVWCWODYGB-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.79
Rot. Bonds6

About 4-[4-(2,5-dimethylphenoxy)butyl]morpholine

4-[4-(2,5-dimethylphenoxy)butyl]morpholine (PubChem CID 2245898) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[4-(2,5-dimethylphenoxy)butyl]morpholine.

Molecular Properties

Compound Name4-[4-(2,5-dimethylphenoxy)butyl]morpholine
PubChem CID2245898
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[4-(2,5-dimethylphenoxy)butyl]morpholine
SMILESCc1ccc(C)c(OCCCCN2CCOCC2)c1
InChIInChI=1S/C16H25NO2/c1-14-5-6-15(2)16(13-14)19-10-4-3-7-17-8-11-18-12-9-17/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyHGBYSVWCWODYGB-UHFFFAOYSA-N
XLogP2.79
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.79
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

1-[4-(2,5-dimethylphenoxy)butyl]aziridine
CID 125464507
4-[3-(2-methoxy-5-methylphenoxy)propyl]morpholine
CID 58597190
1-[4-(2,5-dimethylphenoxy)butyl]-4-methylpiperidine
CID 40804379
4-[6-(2-methylphenoxy)hexyl]morpholine
CID 5114307
5-[(2,5-dimethylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
CID 19452680
5-(2,5-dimethylphenoxy)-2,2-dimethyl-1-morpholin-4-ylpentan-1-one
CID 54783497
N-methyl-1-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]methanamine
CID 63323660
1-[2-(2,4-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 112973612
4-[2-(2,3,5-trimethylphenoxy)ethyl]morpholine
CID 868362
3-methyl-4-(3-morpholin-4-ylpropoxy)aniline
CID 171834800
4-[3-(4-tert-butyl-2-methylphenoxy)propyl]morpholine
CID 2582852
1-[3-(2,5-dimethylphenoxy)propyl]azetidin-3-amine
CID 65250062

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,5-dimethylphenoxy)butyl]morpholine?
The IUPAC name of 4-[4-(2,5-dimethylphenoxy)butyl]morpholine (CID 2245898) is 4-[4-(2,5-dimethylphenoxy)butyl]morpholine.
What is the SMILES notation for 4-[4-(2,5-dimethylphenoxy)butyl]morpholine?
The canonical SMILES for 4-[4-(2,5-dimethylphenoxy)butyl]morpholine is Cc1ccc(C)c(OCCCCN2CCOCC2)c1.
What is the InChIKey of 4-[4-(2,5-dimethylphenoxy)butyl]morpholine?
The InChIKey is HGBYSVWCWODYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-14-5-6-15(2)16(13-14)19-10-4-3-7-17-8-11-18-12-9-17/h5-6,13H,3-4,7-12H2,1-2H3.
What are the key properties of 4-[4-(2,5-dimethylphenoxy)butyl]morpholine?
4-[4-(2,5-dimethylphenoxy)butyl]morpholine has a molecular weight of 263.38 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,5-dimethylphenoxy)butyl]morpholine is sourced from PubChem (CID 2245898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).