4-[5-(2,3-dimethylphenoxy)pentyl]morpholine

C17H27NO2 — CID 2057358

IUPAC4-[5-(2,3-dimethylphenoxy)pentyl]morpholine
SMILESCc1cccc(OCCCCCN2CCOCC2)c1C
InChIInChI=1S/C17H27NO2/c1-15-7-6-8-17(16(15)2)20-12-5-3-4-9-18-10-13-19-14-11-18/h6-8H,3-5,9-14H2,1-2H3
InChIKeyNTVZPFWOTXHCLQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.18
Rot. Bonds7

About 4-[5-(2,3-dimethylphenoxy)pentyl]morpholine

4-[5-(2,3-dimethylphenoxy)pentyl]morpholine (PubChem CID 2057358) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-[5-(2,3-dimethylphenoxy)pentyl]morpholine.

Molecular Properties

Compound Name4-[5-(2,3-dimethylphenoxy)pentyl]morpholine
PubChem CID2057358
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name4-[5-(2,3-dimethylphenoxy)pentyl]morpholine
SMILESCc1cccc(OCCCCCN2CCOCC2)c1C
InChIInChI=1S/C17H27NO2/c1-15-7-6-8-17(16(15)2)20-12-5-3-4-9-18-10-13-19-14-11-18/h6-8H,3-5,9-14H2,1-2H3
InChIKeyNTVZPFWOTXHCLQ-UHFFFAOYSA-N
XLogP3.18
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.18
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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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,3-dimethylphenoxy)pentyl]morpholine?
The IUPAC name of 4-[5-(2,3-dimethylphenoxy)pentyl]morpholine (CID 2057358) is 4-[5-(2,3-dimethylphenoxy)pentyl]morpholine.
What is the SMILES notation for 4-[5-(2,3-dimethylphenoxy)pentyl]morpholine?
The canonical SMILES for 4-[5-(2,3-dimethylphenoxy)pentyl]morpholine is Cc1cccc(OCCCCCN2CCOCC2)c1C.
What is the InChIKey of 4-[5-(2,3-dimethylphenoxy)pentyl]morpholine?
The InChIKey is NTVZPFWOTXHCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-15-7-6-8-17(16(15)2)20-12-5-3-4-9-18-10-13-19-14-11-18/h6-8H,3-5,9-14H2,1-2H3.
What are the key properties of 4-[5-(2,3-dimethylphenoxy)pentyl]morpholine?
4-[5-(2,3-dimethylphenoxy)pentyl]morpholine has a molecular weight of 277.41 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,3-dimethylphenoxy)pentyl]morpholine is sourced from PubChem (CID 2057358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).