1-[2-(3-methylphenoxy)ethyl]-2-pyrrolidin-2-ylpyrrolidine

C17H26N2O — CID 62273920

IUPAC1-[2-(3-methylphenoxy)ethyl]-2-pyrrolidin-2-ylpyrrolidine
SMILESCc1cccc(OCCN2CCCC2C2CCCN2)c1
InChIInChI=1S/C17H26N2O/c1-14-5-2-6-15(13-14)20-12-11-19-10-4-8-17(19)16-7-3-9-18-16/h2,5-6,13,16-18H,3-4,7-12H2,1H3
InChIKeyOUNKNKULEWRVDD-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.59
Rot. Bonds5

About 1-[2-(3-methylphenoxy)ethyl]-2-pyrrolidin-2-ylpyrrolidine

1-[2-(3-methylphenoxy)ethyl]-2-pyrrolidin-2-ylpyrrolidine (PubChem CID 62273920) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[2-(3-methylphenoxy)ethyl]-2-pyrrolidin-2-ylpyrrolidine.

Molecular Properties

Compound Name1-[2-(3-methylphenoxy)ethyl]-2-pyrrolidin-2-ylpyrrolidine
PubChem CID62273920
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[2-(3-methylphenoxy)ethyl]-2-pyrrolidin-2-ylpyrrolidine
SMILESCc1cccc(OCCN2CCCC2C2CCCN2)c1
InChIInChI=1S/C17H26N2O/c1-14-5-2-6-15(13-14)20-12-11-19-10-4-8-17(19)16-7-3-9-18-16/h2,5-6,13,16-18H,3-4,7-12H2,1H3
InChIKeyOUNKNKULEWRVDD-UHFFFAOYSA-N
XLogP2.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-methylphenoxy)ethyl]pyrrolidine
CID 23339440
[3-methyl-1-[2-(3-methylphenoxy)ethyl]pyrrolidin-2-yl]methanol
CID 102788914
(3S)-3-methyl-1-[2-(3-methylphenoxy)ethyl]piperazine
CID 51980514
[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]methanamine;hydrochloride
CID 119915967
2-[2-[2-(3-methylphenoxy)ethyl]pyrrolidin-1-yl]ethanamine
CID 112518629
1-[2-(3-methylphenoxy)ethyl]piperidine-2-carboxylic acid
CID 43441222
1-[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]ethanamine
CID 63255908
1-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 55054099
3-methyl-2-[2-(3-methylphenoxy)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 78992273
2-[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]piperidine
CID 114704523
3-methyl-1-[3-(3-methylphenoxy)propyl]piperidine-2-carboxylic acid
CID 107072339
1-(2-phenylethyl)-2-pyrrolidin-2-ylpyrrolidine
CID 62273352

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylphenoxy)ethyl]-2-pyrrolidin-2-ylpyrrolidine?
The IUPAC name of 1-[2-(3-methylphenoxy)ethyl]-2-pyrrolidin-2-ylpyrrolidine (CID 62273920) is 1-[2-(3-methylphenoxy)ethyl]-2-pyrrolidin-2-ylpyrrolidine.
What is the SMILES notation for 1-[2-(3-methylphenoxy)ethyl]-2-pyrrolidin-2-ylpyrrolidine?
The canonical SMILES for 1-[2-(3-methylphenoxy)ethyl]-2-pyrrolidin-2-ylpyrrolidine is Cc1cccc(OCCN2CCCC2C2CCCN2)c1.
What is the InChIKey of 1-[2-(3-methylphenoxy)ethyl]-2-pyrrolidin-2-ylpyrrolidine?
The InChIKey is OUNKNKULEWRVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14-5-2-6-15(13-14)20-12-11-19-10-4-8-17(19)16-7-3-9-18-16/h2,5-6,13,16-18H,3-4,7-12H2,1H3.
What are the key properties of 1-[2-(3-methylphenoxy)ethyl]-2-pyrrolidin-2-ylpyrrolidine?
1-[2-(3-methylphenoxy)ethyl]-2-pyrrolidin-2-ylpyrrolidine has a molecular weight of 274.41 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylphenoxy)ethyl]-2-pyrrolidin-2-ylpyrrolidine is sourced from PubChem (CID 62273920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).