1-[4-[2-(2-methoxyethoxy)ethyl]phenyl]pyrrolidine

C15H23NO2 — CID 69086607

IUPAC1-[4-[2-(2-methoxyethoxy)ethyl]phenyl]pyrrolidine
SMILESCOCCOCCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H23NO2/c1-17-12-13-18-11-8-14-4-6-15(7-5-14)16-9-2-3-10-16/h4-7H,2-3,8-13H2,1H3
InChIKeyBHXRDGCAHIXGJC-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.49
Rot. Bonds7

About 1-[4-[2-(2-methoxyethoxy)ethyl]phenyl]pyrrolidine

1-[4-[2-(2-methoxyethoxy)ethyl]phenyl]pyrrolidine (PubChem CID 69086607) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[4-[2-(2-methoxyethoxy)ethyl]phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[4-[2-(2-methoxyethoxy)ethyl]phenyl]pyrrolidine
PubChem CID69086607
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[4-[2-(2-methoxyethoxy)ethyl]phenyl]pyrrolidine
SMILESCOCCOCCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H23NO2/c1-17-12-13-18-11-8-14-4-6-15(7-5-14)16-9-2-3-10-16/h4-7H,2-3,8-13H2,1H3
InChIKeyBHXRDGCAHIXGJC-UHFFFAOYSA-N
XLogP2.49
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-methoxyethyl)phenyl]piperazine
CID 170986156
1-[4-[3-(4-bromobutoxy)propyl]phenyl]pyrrolidine
CID 19862698
2-(2-methoxyethoxy)ethylbenzene
CID 21135488
6-[3-(4-piperidin-1-ylphenyl)propoxy]hexan-1-ol
CID 19862704
1-(4-pentylphenyl)pyrrolidine
CID 168512151
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(4-piperidin-1-ylphenyl)but-2-enamide
CID 159309501
ethyl 3-[4-(azepan-1-yl)phenyl]propanoate
CID 59859896
methyl 4-[3-(4-pyrrolidin-1-ylphenyl)propanoylamino]benzoate
CID 110650646
4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35613985
2-(2-methoxyethoxy)ethyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)benzoate
CID 58283308
3-[4-(azepan-1-yl)phenyl]propan-1-amine
CID 28806979
N-methyl-4-(4-pyrrolidin-1-ylphenyl)butan-1-amine
CID 112518014

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-methoxyethoxy)ethyl]phenyl]pyrrolidine?
The IUPAC name of 1-[4-[2-(2-methoxyethoxy)ethyl]phenyl]pyrrolidine (CID 69086607) is 1-[4-[2-(2-methoxyethoxy)ethyl]phenyl]pyrrolidine.
What is the SMILES notation for 1-[4-[2-(2-methoxyethoxy)ethyl]phenyl]pyrrolidine?
The canonical SMILES for 1-[4-[2-(2-methoxyethoxy)ethyl]phenyl]pyrrolidine is COCCOCCc1ccc(N2CCCC2)cc1.
What is the InChIKey of 1-[4-[2-(2-methoxyethoxy)ethyl]phenyl]pyrrolidine?
The InChIKey is BHXRDGCAHIXGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-17-12-13-18-11-8-14-4-6-15(7-5-14)16-9-2-3-10-16/h4-7H,2-3,8-13H2,1H3.
What are the key properties of 1-[4-[2-(2-methoxyethoxy)ethyl]phenyl]pyrrolidine?
1-[4-[2-(2-methoxyethoxy)ethyl]phenyl]pyrrolidine has a molecular weight of 249.35 g/mol, XLogP of 2.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-methoxyethoxy)ethyl]phenyl]pyrrolidine is sourced from PubChem (CID 69086607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).