1-[4-(2,6-dimethoxyphenoxy)butyl]pyrrolidine

C16H25NO3 — CID 2262188

IUPAC1-[4-(2,6-dimethoxyphenoxy)butyl]pyrrolidine
SMILESCOc1cccc(OC)c1OCCCCN1CCCC1
InChIInChI=1S/C16H25NO3/c1-18-14-8-7-9-15(19-2)16(14)20-13-6-5-12-17-10-3-4-11-17/h7-9H,3-6,10-13H2,1-2H3
InChIKeyCCCLIUYHOSIBKD-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.96
Rot. Bonds8

About 1-[4-(2,6-dimethoxyphenoxy)butyl]pyrrolidine

1-[4-(2,6-dimethoxyphenoxy)butyl]pyrrolidine (PubChem CID 2262188) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[4-(2,6-dimethoxyphenoxy)butyl]pyrrolidine.

Molecular Properties

Compound Name1-[4-(2,6-dimethoxyphenoxy)butyl]pyrrolidine
PubChem CID2262188
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-[4-(2,6-dimethoxyphenoxy)butyl]pyrrolidine
SMILESCOc1cccc(OC)c1OCCCCN1CCCC1
InChIInChI=1S/C16H25NO3/c1-18-14-8-7-9-15(19-2)16(14)20-13-6-5-12-17-10-3-4-11-17/h7-9H,3-6,10-13H2,1-2H3
InChIKeyCCCLIUYHOSIBKD-UHFFFAOYSA-N
XLogP2.96
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Gallamine Triethiodide
CID 6172
Triethylgallamine
CID 3450
Gallamine
CID 67425
Pyrrolidine, 1-(2-(2-(o-methoxyphenoxy)ethoxy)ethyl)-
CID 120394
Triethylamine, 2-(1,4-benzodioxan-5-yloxy)-, hydrochloride
CID 200882
1-(3-(2-(3-Methoxyphenoxy)ethoxy)propyl)azepane
CID 44582620
1-[4-(2-Methoxyphenoxy)butyl]piperidine
CID 2057682
1-[4-(3-Methoxyphenoxy)butyl]piperidine
CID 2058926
4-[3-(2,6-Dimethoxyphenoxy)propyl]morpholine
CID 232613
4-[6-(3-Methoxyphenoxy)hexyl]morpholine
CID 2056435
N,N-diethyl-5-(2-methoxyphenoxy)-1-pentanamine
CID 2232417
1-[4-(2-Ethoxyphenoxy)butyl]pyrrolidine
CID 2262095

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dimethoxyphenoxy)butyl]pyrrolidine?
The IUPAC name of 1-[4-(2,6-dimethoxyphenoxy)butyl]pyrrolidine (CID 2262188) is 1-[4-(2,6-dimethoxyphenoxy)butyl]pyrrolidine.
What is the SMILES notation for 1-[4-(2,6-dimethoxyphenoxy)butyl]pyrrolidine?
The canonical SMILES for 1-[4-(2,6-dimethoxyphenoxy)butyl]pyrrolidine is COc1cccc(OC)c1OCCCCN1CCCC1.
What is the InChIKey of 1-[4-(2,6-dimethoxyphenoxy)butyl]pyrrolidine?
The InChIKey is CCCLIUYHOSIBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-18-14-8-7-9-15(19-2)16(14)20-13-6-5-12-17-10-3-4-11-17/h7-9H,3-6,10-13H2,1-2H3.
What are the key properties of 1-[4-(2,6-dimethoxyphenoxy)butyl]pyrrolidine?
1-[4-(2,6-dimethoxyphenoxy)butyl]pyrrolidine has a molecular weight of 279.38 g/mol, XLogP of 2.96, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dimethoxyphenoxy)butyl]pyrrolidine is sourced from PubChem (CID 2262188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).