2,5-dimethyl-1-(3-phenoxypropyl)pyrrolidine

C15H23NO — CID 123293615

IUPAC2,5-dimethyl-1-(3-phenoxypropyl)pyrrolidine
SMILESCC1CCC(C)N1CCCOc1ccccc1
InChIInChI=1S/C15H23NO/c1-13-9-10-14(2)16(13)11-6-12-17-15-7-4-3-5-8-15/h3-5,7-8,13-14H,6,9-12H2,1-2H3
InChIKeyUBBIVKQEORDQTO-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.33
Rot. Bonds5

About 2,5-dimethyl-1-(3-phenoxypropyl)pyrrolidine

2,5-dimethyl-1-(3-phenoxypropyl)pyrrolidine (PubChem CID 123293615) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2,5-dimethyl-1-(3-phenoxypropyl)pyrrolidine.

Molecular Properties

Compound Name2,5-dimethyl-1-(3-phenoxypropyl)pyrrolidine
PubChem CID123293615
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2,5-dimethyl-1-(3-phenoxypropyl)pyrrolidine
SMILESCC1CCC(C)N1CCCOc1ccccc1
InChIInChI=1S/C15H23NO/c1-13-9-10-14(2)16(13)11-6-12-17-15-7-4-3-5-8-15/h3-5,7-8,13-14H,6,9-12H2,1-2H3
InChIKeyUBBIVKQEORDQTO-UHFFFAOYSA-N
XLogP3.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-benzylphenoxy)ethyl]-2,6-dimethylpiperidine
CID 10711066
(2R)-2-methyl-1-(2-phenoxyethyl)aziridine
CID 122210723
3-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propoxy]benzaldehyde
CID 99991988
3-(3-phenoxypropyl)-3-azabicyclo[3.2.2]nonane
CID 97356188
2,6-dimethyl-1-[3-[4-(2-methylbutan-2-yl)phenoxy]propyl]piperidine
CID 155520534
2-[3-(2,6-dimethylpiperidin-1-yl)propoxy]benzoic acid
CID 22682087
(2R,5R)-1-(3-methoxypropyl)-2,5-dimethylpyrrolidine
CID 89113469
3-[4-[(2R,6R)-2,6-dimethylpiperidin-1-yl]butoxy]benzaldehyde
CID 99992136
methane;2-methyl-1-(5-phenoxypentyl)piperidine
CID 158922703
(3S,4R)-1-(3-phenoxypropyl)pyrrolidine-3,4-diol
CID 79410528
4-methyl-1-(3-phenoxypropyl)pyrrolidin-3-amine
CID 103577059
4-[4-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]oxane-4-carbonitrile
CID 59837541

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(3-phenoxypropyl)pyrrolidine?
The IUPAC name of 2,5-dimethyl-1-(3-phenoxypropyl)pyrrolidine (CID 123293615) is 2,5-dimethyl-1-(3-phenoxypropyl)pyrrolidine.
What is the SMILES notation for 2,5-dimethyl-1-(3-phenoxypropyl)pyrrolidine?
The canonical SMILES for 2,5-dimethyl-1-(3-phenoxypropyl)pyrrolidine is CC1CCC(C)N1CCCOc1ccccc1.
What is the InChIKey of 2,5-dimethyl-1-(3-phenoxypropyl)pyrrolidine?
The InChIKey is UBBIVKQEORDQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-13-9-10-14(2)16(13)11-6-12-17-15-7-4-3-5-8-15/h3-5,7-8,13-14H,6,9-12H2,1-2H3.
What are the key properties of 2,5-dimethyl-1-(3-phenoxypropyl)pyrrolidine?
2,5-dimethyl-1-(3-phenoxypropyl)pyrrolidine has a molecular weight of 233.35 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(3-phenoxypropyl)pyrrolidine is sourced from PubChem (CID 123293615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).