1-benzyl-2-(phenylmethoxymethyl)pyrrolidine

C19H23NO — CID 102006711

IUPAC1-benzyl-2-(phenylmethoxymethyl)pyrrolidine
SMILESc1ccc(COCC2CCCN2Cc2ccccc2)cc1
InChIInChI=1S/C19H23NO/c1-3-8-17(9-4-1)14-20-13-7-12-19(20)16-21-15-18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2
InChIKeyHDXSGNDOBBMTID-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.87
Rot. Bonds6

About 1-benzyl-2-(phenylmethoxymethyl)pyrrolidine

1-benzyl-2-(phenylmethoxymethyl)pyrrolidine (PubChem CID 102006711) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-benzyl-2-(phenylmethoxymethyl)pyrrolidine.

Molecular Properties

Compound Name1-benzyl-2-(phenylmethoxymethyl)pyrrolidine
PubChem CID102006711
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-benzyl-2-(phenylmethoxymethyl)pyrrolidine
SMILESc1ccc(COCC2CCCN2Cc2ccccc2)cc1
InChIInChI=1S/C19H23NO/c1-3-8-17(9-4-1)14-20-13-7-12-19(20)16-21-15-18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2
InChIKeyHDXSGNDOBBMTID-UHFFFAOYSA-N
XLogP3.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(phenylmethoxymethyl)pyrrolidine?
The IUPAC name of 1-benzyl-2-(phenylmethoxymethyl)pyrrolidine (CID 102006711) is 1-benzyl-2-(phenylmethoxymethyl)pyrrolidine.
What is the SMILES notation for 1-benzyl-2-(phenylmethoxymethyl)pyrrolidine?
The canonical SMILES for 1-benzyl-2-(phenylmethoxymethyl)pyrrolidine is c1ccc(COCC2CCCN2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-2-(phenylmethoxymethyl)pyrrolidine?
The InChIKey is HDXSGNDOBBMTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-3-8-17(9-4-1)14-20-13-7-12-19(20)16-21-15-18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2.
What are the key properties of 1-benzyl-2-(phenylmethoxymethyl)pyrrolidine?
1-benzyl-2-(phenylmethoxymethyl)pyrrolidine has a molecular weight of 281.40 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(phenylmethoxymethyl)pyrrolidine is sourced from PubChem (CID 102006711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).