1-(3-tetradecoxyphenyl)pyrrolidine

C24H41NO — CID 54006267

IUPAC1-(3-tetradecoxyphenyl)pyrrolidine
SMILESCCCCCCCCCCCCCCOc1cccc(N2CCCC2)c1
InChIInChI=1S/C24H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-15-21-26-24-18-16-17-23(22-24)25-19-13-14-20-25/h16-18,22H,2-15,19-21H2,1H3
InChIKeyABOPUHMNXDMYFM-UHFFFAOYSA-N
MW359.60 g/mol
LogP7.37
Rot. Bonds15

About 1-(3-tetradecoxyphenyl)pyrrolidine

1-(3-tetradecoxyphenyl)pyrrolidine (PubChem CID 54006267) has the molecular formula C24H41NO and a molecular weight of 359.60 g/mol. Its IUPAC name is 1-(3-tetradecoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-tetradecoxyphenyl)pyrrolidine
PubChem CID54006267
Molecular FormulaC24H41NO
Molecular Weight359.60 g/mol
Exact Mass359.32
IUPAC Name1-(3-tetradecoxyphenyl)pyrrolidine
SMILESCCCCCCCCCCCCCCOc1cccc(N2CCCC2)c1
InChIInChI=1S/C24H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-15-21-26-24-18-16-17-23(22-24)25-19-13-14-20-25/h16-18,22H,2-15,19-21H2,1H3
InChIKeyABOPUHMNXDMYFM-UHFFFAOYSA-N
XLogP7.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.60
LogP ≤ 57.37
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-[4-[4-(3-hexoxyphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729325
3-(3-piperidin-1-ylphenoxy)propan-1-amine
CID 19816119
1,3-dihexadecoxybenzene
CID 12686834
1-methyl-3-pentadecoxybenzene
CID 154641822
1-hexadecoxy-3-methylbenzene
CID 154641790
1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidine
CID 168512674
1,3-bis(2-hexoxyethoxy)benzene
CID 118037379
3-dodecoxyphenol
CID 15719132
1-(3-methoxyphenyl)azepane
CID 57276431
azane;1-ethoxy-3-pentoxybenzene
CID 68858003
sodium 3-octoxyphenolate
CID 159078373
1-(methoxymethoxy)-3-octoxybenzene
CID 175530197

Frequently Asked Questions

What is the IUPAC name of 1-(3-tetradecoxyphenyl)pyrrolidine?
The IUPAC name of 1-(3-tetradecoxyphenyl)pyrrolidine (CID 54006267) is 1-(3-tetradecoxyphenyl)pyrrolidine.
What is the SMILES notation for 1-(3-tetradecoxyphenyl)pyrrolidine?
The canonical SMILES for 1-(3-tetradecoxyphenyl)pyrrolidine is CCCCCCCCCCCCCCOc1cccc(N2CCCC2)c1.
What is the InChIKey of 1-(3-tetradecoxyphenyl)pyrrolidine?
The InChIKey is ABOPUHMNXDMYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-15-21-26-24-18-16-17-23(22-24)25-19-13-14-20-25/h16-18,22H,2-15,19-21H2,1H3.
What are the key properties of 1-(3-tetradecoxyphenyl)pyrrolidine?
1-(3-tetradecoxyphenyl)pyrrolidine has a molecular weight of 359.60 g/mol, XLogP of 7.37, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tetradecoxyphenyl)pyrrolidine is sourced from PubChem (CID 54006267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).