4-[3-(2,3-dimethylphenoxy)propyl]morpholine

C15H23NO2 — CID 2057362

IUPAC4-[3-(2,3-dimethylphenoxy)propyl]morpholine
SMILESCc1cccc(OCCCN2CCOCC2)c1C
InChIInChI=1S/C15H23NO2/c1-13-5-3-6-15(14(13)2)18-10-4-7-16-8-11-17-12-9-16/h3,5-6H,4,7-12H2,1-2H3
InChIKeyVXIWAAYIIYSTKJ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.40
Rot. Bonds5

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

4-[3-(2,3-dimethylphenoxy)propyl]morpholine (PubChem CID 2057362) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-[3-(2,3-dimethylphenoxy)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(2,3-dimethylphenoxy)propyl]morpholine
PubChem CID2057362
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-[3-(2,3-dimethylphenoxy)propyl]morpholine
SMILESCc1cccc(OCCCN2CCOCC2)c1C
InChIInChI=1S/C15H23NO2/c1-13-5-3-6-15(14(13)2)18-10-4-7-16-8-11-17-12-9-16/h3,5-6H,4,7-12H2,1-2H3
InChIKeyVXIWAAYIIYSTKJ-UHFFFAOYSA-N
XLogP2.40
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[3-(2,3-dimethylphenoxy)propyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Doxepin
CID 3158
Phenyltoloxamine
CID 7077
Sinequan
CID 667477
Doxepin Hydrochloride
CID 6419921
(Z)-Doxepin
CID 667468
Benproperine
CID 2326
Fomocaine
CID 71693
Indeloxazine
CID 3704
Lubazodone
CID 157919
Xibenolol
CID 146256
Etoloxamine
CID 68950
2-Propanol, 1-(dimethylamino)-3-(1-naphthalenyloxy)-
CID 200475

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,3-dimethylphenoxy)propyl]morpholine?
The IUPAC name of 4-[3-(2,3-dimethylphenoxy)propyl]morpholine (CID 2057362) is 4-[3-(2,3-dimethylphenoxy)propyl]morpholine.
What is the SMILES notation for 4-[3-(2,3-dimethylphenoxy)propyl]morpholine?
The canonical SMILES for 4-[3-(2,3-dimethylphenoxy)propyl]morpholine is Cc1cccc(OCCCN2CCOCC2)c1C.
What is the InChIKey of 4-[3-(2,3-dimethylphenoxy)propyl]morpholine?
The InChIKey is VXIWAAYIIYSTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-13-5-3-6-15(14(13)2)18-10-4-7-16-8-11-17-12-9-16/h3,5-6H,4,7-12H2,1-2H3.
What are the key properties of 4-[3-(2,3-dimethylphenoxy)propyl]morpholine?
4-[3-(2,3-dimethylphenoxy)propyl]morpholine has a molecular weight of 249.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,3-dimethylphenoxy)propyl]morpholine is sourced from PubChem (CID 2057362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).