2-ethyl-2-[(2-methoxyphenyl)methyl]pyrrolidine

C14H21NO — CID 66465553

IUPAC2-ethyl-2-[(2-methoxyphenyl)methyl]pyrrolidine
SMILESCCC1(Cc2ccccc2OC)CCCN1
InChIInChI=1S/C14H21NO/c1-3-14(9-6-10-15-14)11-12-7-4-5-8-13(12)16-2/h4-5,7-8,15H,3,6,9-11H2,1-2H3
InChIKeyDIHZZKNLDHCORH-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.77
Rot. Bonds4

About 2-ethyl-2-[(2-methoxyphenyl)methyl]pyrrolidine

2-ethyl-2-[(2-methoxyphenyl)methyl]pyrrolidine (PubChem CID 66465553) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-ethyl-2-[(2-methoxyphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-ethyl-2-[(2-methoxyphenyl)methyl]pyrrolidine
PubChem CID66465553
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-ethyl-2-[(2-methoxyphenyl)methyl]pyrrolidine
SMILESCCC1(Cc2ccccc2OC)CCCN1
InChIInChI=1S/C14H21NO/c1-3-14(9-6-10-15-14)11-12-7-4-5-8-13(12)16-2/h4-5,7-8,15H,3,6,9-11H2,1-2H3
InChIKeyDIHZZKNLDHCORH-UHFFFAOYSA-N
XLogP2.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(2-methoxyphenyl)methyl]pyrrolidine?
The IUPAC name of 2-ethyl-2-[(2-methoxyphenyl)methyl]pyrrolidine (CID 66465553) is 2-ethyl-2-[(2-methoxyphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-ethyl-2-[(2-methoxyphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-ethyl-2-[(2-methoxyphenyl)methyl]pyrrolidine is CCC1(Cc2ccccc2OC)CCCN1.
What is the InChIKey of 2-ethyl-2-[(2-methoxyphenyl)methyl]pyrrolidine?
The InChIKey is DIHZZKNLDHCORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-14(9-6-10-15-14)11-12-7-4-5-8-13(12)16-2/h4-5,7-8,15H,3,6,9-11H2,1-2H3.
What are the key properties of 2-ethyl-2-[(2-methoxyphenyl)methyl]pyrrolidine?
2-ethyl-2-[(2-methoxyphenyl)methyl]pyrrolidine has a molecular weight of 219.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(2-methoxyphenyl)methyl]pyrrolidine is sourced from PubChem (CID 66465553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).