1-[2-[2-(2,4-dimethylphenoxy)ethoxy]ethyl]pyrrolidine

C16H25NO2 — CID 3870944

IUPAC1-[2-[2-(2,4-dimethylphenoxy)ethoxy]ethyl]pyrrolidine
SMILESCc1ccc(OCCOCCN2CCCC2)c(C)c1
InChIInChI=1S/C16H25NO2/c1-14-5-6-16(15(2)13-14)19-12-11-18-10-9-17-7-3-4-8-17/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyDJNRERLDNAJMJB-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.79
Rot. Bonds7

About 1-[2-[2-(2,4-dimethylphenoxy)ethoxy]ethyl]pyrrolidine

1-[2-[2-(2,4-dimethylphenoxy)ethoxy]ethyl]pyrrolidine (PubChem CID 3870944) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[2-[2-(2,4-dimethylphenoxy)ethoxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[2-(2,4-dimethylphenoxy)ethoxy]ethyl]pyrrolidine
PubChem CID3870944
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[2-[2-(2,4-dimethylphenoxy)ethoxy]ethyl]pyrrolidine
SMILESCc1ccc(OCCOCCN2CCCC2)c(C)c1
InChIInChI=1S/C16H25NO2/c1-14-5-6-16(15(2)13-14)19-12-11-18-10-9-17-7-3-4-8-17/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyDJNRERLDNAJMJB-UHFFFAOYSA-N
XLogP2.79
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-amine
CID 28802683
1-[2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 2298053
1-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 44828232
1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
CID 64764967
1-[2-(4-bromo-2-methylphenoxy)ethyl]piperidine
CID 803338
1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine
CID 869320
1-[3-(2-bromo-4-methylphenoxy)propyl]pyrrolidine
CID 2299479
1-[3-(4-bromo-2-methylphenoxy)propyl]pyrrolidine
CID 2296987
2-[2-(2,4-dimethylphenoxy)ethoxy]ethanamine
CID 28749670
1-(2-ethoxyethoxy)-2,4-dimethylbenzene
CID 60644510
2-[2-(azepan-1-yl)ethoxy]-5-methylaniline;dihydrochloride
CID 46736515
[5-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol
CID 63325192

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,4-dimethylphenoxy)ethoxy]ethyl]pyrrolidine?
The IUPAC name of 1-[2-[2-(2,4-dimethylphenoxy)ethoxy]ethyl]pyrrolidine (CID 3870944) is 1-[2-[2-(2,4-dimethylphenoxy)ethoxy]ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[2-(2,4-dimethylphenoxy)ethoxy]ethyl]pyrrolidine?
The canonical SMILES for 1-[2-[2-(2,4-dimethylphenoxy)ethoxy]ethyl]pyrrolidine is Cc1ccc(OCCOCCN2CCCC2)c(C)c1.
What is the InChIKey of 1-[2-[2-(2,4-dimethylphenoxy)ethoxy]ethyl]pyrrolidine?
The InChIKey is DJNRERLDNAJMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-14-5-6-16(15(2)13-14)19-12-11-18-10-9-17-7-3-4-8-17/h5-6,13H,3-4,7-12H2,1-2H3.
What are the key properties of 1-[2-[2-(2,4-dimethylphenoxy)ethoxy]ethyl]pyrrolidine?
1-[2-[2-(2,4-dimethylphenoxy)ethoxy]ethyl]pyrrolidine has a molecular weight of 263.38 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,4-dimethylphenoxy)ethoxy]ethyl]pyrrolidine is sourced from PubChem (CID 3870944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).