1-pentyl-3-[2-[4-(2-phenylethyl)phenoxy]ethyl]pyrrolidine

C25H35NO — CID 67834138

IUPAC1-pentyl-3-[2-[4-(2-phenylethyl)phenoxy]ethyl]pyrrolidine
SMILESCCCCCN1CCC(CCOc2ccc(CCc3ccccc3)cc2)C1
InChIInChI=1S/C25H35NO/c1-2-3-7-18-26-19-16-24(21-26)17-20-27-25-14-12-23(13-15-25)11-10-22-8-5-4-6-9-22/h4-6,8-9,12-15,24H,2-3,7,10-11,16-21H2,1H3
InChIKeyIDFQVYNVECZEJR-UHFFFAOYSA-N
MW365.56 g/mol
LogP5.75
Rot. Bonds11

About 1-pentyl-3-[2-[4-(2-phenylethyl)phenoxy]ethyl]pyrrolidine

1-pentyl-3-[2-[4-(2-phenylethyl)phenoxy]ethyl]pyrrolidine (PubChem CID 67834138) has the molecular formula C25H35NO and a molecular weight of 365.56 g/mol. Its IUPAC name is 1-pentyl-3-[2-[4-(2-phenylethyl)phenoxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-pentyl-3-[2-[4-(2-phenylethyl)phenoxy]ethyl]pyrrolidine
PubChem CID67834138
Molecular FormulaC25H35NO
Molecular Weight365.56 g/mol
Exact Mass365.27
IUPAC Name1-pentyl-3-[2-[4-(2-phenylethyl)phenoxy]ethyl]pyrrolidine
SMILESCCCCCN1CCC(CCOc2ccc(CCc3ccccc3)cc2)C1
InChIInChI=1S/C25H35NO/c1-2-3-7-18-26-19-16-24(21-26)17-20-27-25-14-12-23(13-15-25)11-10-22-8-5-4-6-9-22/h4-6,8-9,12-15,24H,2-3,7,10-11,16-21H2,1H3
InChIKeyIDFQVYNVECZEJR-UHFFFAOYSA-N
XLogP5.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.56
LogP ≤ 55.75
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

4-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-1-pentylpiperidine
CID 167068129
1-(4-methylpentyl)-4-[2-(4-propylphenoxy)ethyl]piperidine
CID 166938631
4-[2-(4-fluorophenoxy)ethyl]-1-pentylpiperidine
CID 54415158
3-benzyl-1-octylpyrrolidine
CID 58576677
3-ethyl-1-(3-phenoxypropyl)pyrrolidine
CID 126692357
4-[2-(4-ethylphenoxy)ethyl]-1-(4-methylpentyl)piperidine
CID 146312573
4-[2-(3,5-dichlorophenoxy)ethyl]-1-pentylpiperidine
CID 54424720
1-(2-phenoxyethyl)-4-(4-phenylbutyl)piperidine;hydrochloride
CID 117067777
1-hexyl-4-(6-phenylhexoxy)benzene
CID 91256527
[(3S)-1-(4-phenylbutyl)pyrrolidin-3-yl]methanol
CID 129380566
3-butyl-1-hexylpyrrolidine
CID 171570679
3-(bromomethyl)-1-(3-phenylpropyl)pyrrolidine
CID 80691457

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-3-[2-[4-(2-phenylethyl)phenoxy]ethyl]pyrrolidine?
The IUPAC name of 1-pentyl-3-[2-[4-(2-phenylethyl)phenoxy]ethyl]pyrrolidine (CID 67834138) is 1-pentyl-3-[2-[4-(2-phenylethyl)phenoxy]ethyl]pyrrolidine.
What is the SMILES notation for 1-pentyl-3-[2-[4-(2-phenylethyl)phenoxy]ethyl]pyrrolidine?
The canonical SMILES for 1-pentyl-3-[2-[4-(2-phenylethyl)phenoxy]ethyl]pyrrolidine is CCCCCN1CCC(CCOc2ccc(CCc3ccccc3)cc2)C1.
What is the InChIKey of 1-pentyl-3-[2-[4-(2-phenylethyl)phenoxy]ethyl]pyrrolidine?
The InChIKey is IDFQVYNVECZEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO/c1-2-3-7-18-26-19-16-24(21-26)17-20-27-25-14-12-23(13-15-25)11-10-22-8-5-4-6-9-22/h4-6,8-9,12-15,24H,2-3,7,10-11,16-21H2,1H3.
What are the key properties of 1-pentyl-3-[2-[4-(2-phenylethyl)phenoxy]ethyl]pyrrolidine?
1-pentyl-3-[2-[4-(2-phenylethyl)phenoxy]ethyl]pyrrolidine has a molecular weight of 365.56 g/mol, XLogP of 5.75, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-3-[2-[4-(2-phenylethyl)phenoxy]ethyl]pyrrolidine is sourced from PubChem (CID 67834138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).