2-[2-[2-(5-phenylpentyl)phenoxy]ethyl]pyrrolidine

C23H31NO — CID 142647232

IUPAC2-[2-[2-(5-phenylpentyl)phenoxy]ethyl]pyrrolidine
SMILESc1ccc(CCCCCc2ccccc2OCCC2CCCN2)cc1
InChIInChI=1S/C23H31NO/c1-3-10-20(11-4-1)12-5-2-6-13-21-14-7-8-16-23(21)25-19-17-22-15-9-18-24-22/h1,3-4,7-8,10-11,14,16,22,24H,2,5-6,9,12-13,15,17-19H2
InChIKeyZZCHVDWKZIBKRF-UHFFFAOYSA-N
MW337.51 g/mol
LogP5.16
Rot. Bonds10

About 2-[2-[2-(5-phenylpentyl)phenoxy]ethyl]pyrrolidine

2-[2-[2-(5-phenylpentyl)phenoxy]ethyl]pyrrolidine (PubChem CID 142647232) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is 2-[2-[2-(5-phenylpentyl)phenoxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name2-[2-[2-(5-phenylpentyl)phenoxy]ethyl]pyrrolidine
PubChem CID142647232
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name2-[2-[2-(5-phenylpentyl)phenoxy]ethyl]pyrrolidine
SMILESc1ccc(CCCCCc2ccccc2OCCC2CCCN2)cc1
InChIInChI=1S/C23H31NO/c1-3-10-20(11-4-1)12-5-2-6-13-21-14-7-8-16-23(21)25-19-17-22-15-9-18-24-22/h1,3-4,7-8,10-11,14,16,22,24H,2,5-6,9,12-13,15,17-19H2
InChIKeyZZCHVDWKZIBKRF-UHFFFAOYSA-N
XLogP5.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-phenylbutoxy)ethyl]piperidine
CID 114334035
2-[2-(2-phenylphenoxy)ethyl]piperidine
CID 43149968
2-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
CID 23339323
1-methyl-2-[2-[2-(4-phenylbutyl)phenoxy]ethyl]piperidine;hydrochloride
CID 57497614
2-[3-(2-chlorophenoxy)propyl]pyrrolidine
CID 62478542
2-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
CID 43149996
2-[2-(4-benzylphenoxy)ethyl]piperidine;hydrochloride
CID 56830376
(2S)-2-[2-(4-phenylphenoxy)ethyl]piperidine
CID 28749943
2-[(2-propoxyphenyl)methyl]piperidine
CID 104662380
2-[2-(2,3-dimethoxyphenoxy)ethyl]piperidine
CID 112500840
4-[2-[2-(4-phenylbutyl)phenoxy]ethyl]morpholine
CID 15389030
6-methyl-3-[[2-(2-piperidin-2-ylethoxy)phenyl]methyl]chromen-2-one
CID 173164904

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(5-phenylpentyl)phenoxy]ethyl]pyrrolidine?
The IUPAC name of 2-[2-[2-(5-phenylpentyl)phenoxy]ethyl]pyrrolidine (CID 142647232) is 2-[2-[2-(5-phenylpentyl)phenoxy]ethyl]pyrrolidine.
What is the SMILES notation for 2-[2-[2-(5-phenylpentyl)phenoxy]ethyl]pyrrolidine?
The canonical SMILES for 2-[2-[2-(5-phenylpentyl)phenoxy]ethyl]pyrrolidine is c1ccc(CCCCCc2ccccc2OCCC2CCCN2)cc1.
What is the InChIKey of 2-[2-[2-(5-phenylpentyl)phenoxy]ethyl]pyrrolidine?
The InChIKey is ZZCHVDWKZIBKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO/c1-3-10-20(11-4-1)12-5-2-6-13-21-14-7-8-16-23(21)25-19-17-22-15-9-18-24-22/h1,3-4,7-8,10-11,14,16,22,24H,2,5-6,9,12-13,15,17-19H2.
What are the key properties of 2-[2-[2-(5-phenylpentyl)phenoxy]ethyl]pyrrolidine?
2-[2-[2-(5-phenylpentyl)phenoxy]ethyl]pyrrolidine has a molecular weight of 337.51 g/mol, XLogP of 5.16, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(5-phenylpentyl)phenoxy]ethyl]pyrrolidine is sourced from PubChem (CID 142647232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).