1-[2-(2-naphthalen-2-yloxyethoxy)ethyl]pyrrolidine

C18H23NO2 — CID 2246231

IUPAC1-[2-(2-naphthalen-2-yloxyethoxy)ethyl]pyrrolidine
SMILESc1ccc2cc(OCCOCCN3CCCC3)ccc2c1
InChIInChI=1S/C18H23NO2/c1-2-6-17-15-18(8-7-16(17)5-1)21-14-13-20-12-11-19-9-3-4-10-19/h1-2,5-8,15H,3-4,9-14H2
InChIKeyJNWAPCXZCMFYQB-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.33
Rot. Bonds7

About 1-[2-(2-naphthalen-2-yloxyethoxy)ethyl]pyrrolidine

1-[2-(2-naphthalen-2-yloxyethoxy)ethyl]pyrrolidine (PubChem CID 2246231) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[2-(2-naphthalen-2-yloxyethoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(2-naphthalen-2-yloxyethoxy)ethyl]pyrrolidine
PubChem CID2246231
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-[2-(2-naphthalen-2-yloxyethoxy)ethyl]pyrrolidine
SMILESc1ccc2cc(OCCOCCN3CCCC3)ccc2c1
InChIInChI=1S/C18H23NO2/c1-2-6-17-15-18(8-7-16(17)5-1)21-14-13-20-12-11-19-9-3-4-10-19/h1-2,5-8,15H,3-4,9-14H2
InChIKeyJNWAPCXZCMFYQB-UHFFFAOYSA-N
XLogP3.33
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.33
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-(3,4-dichlorophenoxy)ethoxy]ethyl]pyrrolidine
CID 2581947
1-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]piperidine
CID 2245896
[1-(2-naphthalen-2-yloxyethyl)piperidin-4-yl]methanamine
CID 28803272
3-methyl-1-(3-naphthalen-2-yloxypropyl)piperidin-3-ol
CID 146124310
methyl 1-(2-naphthalen-2-yloxyethyl)piperidine-4-carboxylate
CID 10380866
7-(3-pyrrolidin-1-ylpropoxy)naphthalene-2-sulfonic acid
CID 86718873
1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperidine
CID 31196285
methyl 6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxylate
CID 58933893
3,6-bis(4-piperidin-1-ylbutoxy)acridine
CID 20553482
(2R)-1-naphthalen-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol
CID 754051
ethyl 1-(3-naphthalen-2-yloxypropyl)piperidine-4-carboxylate
CID 6459062
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-naphthalen-2-yloxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 23534221

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-naphthalen-2-yloxyethoxy)ethyl]pyrrolidine?
The IUPAC name of 1-[2-(2-naphthalen-2-yloxyethoxy)ethyl]pyrrolidine (CID 2246231) is 1-[2-(2-naphthalen-2-yloxyethoxy)ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-(2-naphthalen-2-yloxyethoxy)ethyl]pyrrolidine?
The canonical SMILES for 1-[2-(2-naphthalen-2-yloxyethoxy)ethyl]pyrrolidine is c1ccc2cc(OCCOCCN3CCCC3)ccc2c1.
What is the InChIKey of 1-[2-(2-naphthalen-2-yloxyethoxy)ethyl]pyrrolidine?
The InChIKey is JNWAPCXZCMFYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-2-6-17-15-18(8-7-16(17)5-1)21-14-13-20-12-11-19-9-3-4-10-19/h1-2,5-8,15H,3-4,9-14H2.
What are the key properties of 1-[2-(2-naphthalen-2-yloxyethoxy)ethyl]pyrrolidine?
1-[2-(2-naphthalen-2-yloxyethoxy)ethyl]pyrrolidine has a molecular weight of 285.39 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-naphthalen-2-yloxyethoxy)ethyl]pyrrolidine is sourced from PubChem (CID 2246231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).