4-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidine

C19H23NO2 — CID 123914167

IUPAC4-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidine
SMILESc1ccc(COCC2CC(OCc3ccccc3)CN2)cc1
InChIInChI=1S/C19H23NO2/c1-3-7-16(8-4-1)13-21-15-18-11-19(12-20-18)22-14-17-9-5-2-6-10-17/h1-10,18-20H,11-15H2
InChIKeyRXKXRNBZJFDKDP-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.15
Rot. Bonds7

About 4-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidine

4-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidine (PubChem CID 123914167) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidine.

Molecular Properties

Compound Name4-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidine
PubChem CID123914167
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name4-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidine
SMILESc1ccc(COCC2CC(OCc3ccccc3)CN2)cc1
InChIInChI=1S/C19H23NO2/c1-3-7-16(8-4-1)13-21-15-18-11-19(12-20-18)22-14-17-9-5-2-6-10-17/h1-10,18-20H,11-15H2
InChIKeyRXKXRNBZJFDKDP-UHFFFAOYSA-N
XLogP3.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidine?
The IUPAC name of 4-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidine (CID 123914167) is 4-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidine.
What is the SMILES notation for 4-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidine?
The canonical SMILES for 4-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidine is c1ccc(COCC2CC(OCc3ccccc3)CN2)cc1.
What is the InChIKey of 4-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidine?
The InChIKey is RXKXRNBZJFDKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-3-7-16(8-4-1)13-21-15-18-11-19(12-20-18)22-14-17-9-5-2-6-10-17/h1-10,18-20H,11-15H2.
What are the key properties of 4-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidine?
4-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidine has a molecular weight of 297.40 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-2-(phenylmethoxymethyl)pyrrolidine is sourced from PubChem (CID 123914167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).