2-[[4-(1,2-dimethoxyethyl)phenyl]methyl]pyrrolidine

C15H23NO2 — CID 117377105

IUPAC2-[[4-(1,2-dimethoxyethyl)phenyl]methyl]pyrrolidine
SMILESCOCC(OC)c1ccc(CC2CCCN2)cc1
InChIInChI=1S/C15H23NO2/c1-17-11-15(18-2)13-7-5-12(6-8-13)10-14-4-3-9-16-14/h5-8,14-16H,3-4,9-11H2,1-2H3
InChIKeyNAEIILKWHGILPO-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.32
Rot. Bonds6

About 2-[[4-(1,2-dimethoxyethyl)phenyl]methyl]pyrrolidine

2-[[4-(1,2-dimethoxyethyl)phenyl]methyl]pyrrolidine (PubChem CID 117377105) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[[4-(1,2-dimethoxyethyl)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name2-[[4-(1,2-dimethoxyethyl)phenyl]methyl]pyrrolidine
PubChem CID117377105
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[[4-(1,2-dimethoxyethyl)phenyl]methyl]pyrrolidine
SMILESCOCC(OC)c1ccc(CC2CCCN2)cc1
InChIInChI=1S/C15H23NO2/c1-17-11-15(18-2)13-7-5-12(6-8-13)10-14-4-3-9-16-14/h5-8,14-16H,3-4,9-11H2,1-2H3
InChIKeyNAEIILKWHGILPO-UHFFFAOYSA-N
XLogP2.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 14921538
1-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanol
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2-[[4-(2-methoxyethyl)phenyl]methyl]piperidine
CID 117339226
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
2-[[4-(2-methoxypropyl)phenyl]methyl]piperidine
CID 117371935
2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine
CID 82341654
2-[(4-butan-2-ylphenyl)methyl]piperidine
CID 82341703
2-[[4-(2-chloroethoxy)phenyl]methyl]pyrrolidine
CID 174595091
(2S)-2-[[4-(2-methylpropoxy)phenyl]methyl]piperidine
CID 39345713
2-[[3-chloro-4-(methoxymethyl)phenyl]methyl]pyrrolidine
CID 117352079
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
1-[4-(piperidin-2-ylmethyl)phenyl]ethane-1,2-diol
CID 117342823

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1,2-dimethoxyethyl)phenyl]methyl]pyrrolidine?
The IUPAC name of 2-[[4-(1,2-dimethoxyethyl)phenyl]methyl]pyrrolidine (CID 117377105) is 2-[[4-(1,2-dimethoxyethyl)phenyl]methyl]pyrrolidine.
What is the SMILES notation for 2-[[4-(1,2-dimethoxyethyl)phenyl]methyl]pyrrolidine?
The canonical SMILES for 2-[[4-(1,2-dimethoxyethyl)phenyl]methyl]pyrrolidine is COCC(OC)c1ccc(CC2CCCN2)cc1.
What is the InChIKey of 2-[[4-(1,2-dimethoxyethyl)phenyl]methyl]pyrrolidine?
The InChIKey is NAEIILKWHGILPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-17-11-15(18-2)13-7-5-12(6-8-13)10-14-4-3-9-16-14/h5-8,14-16H,3-4,9-11H2,1-2H3.
What are the key properties of 2-[[4-(1,2-dimethoxyethyl)phenyl]methyl]pyrrolidine?
2-[[4-(1,2-dimethoxyethyl)phenyl]methyl]pyrrolidine has a molecular weight of 249.35 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1,2-dimethoxyethyl)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 117377105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).