[2-(phenoxymethyl)phenyl]-pyrrolidin-1-ylmethanone

C18H19NO2 — CID 78774462

IUPAC[2-(phenoxymethyl)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccccc1COc1ccccc1)N1CCCC1
InChIInChI=1S/C18H19NO2/c20-18(19-12-6-7-13-19)17-11-5-4-8-15(17)14-21-16-9-2-1-3-10-16/h1-5,8-11H,6-7,12-14H2
InChIKeyOQTLZDJWPJLBOR-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.50
Rot. Bonds4

About [2-(phenoxymethyl)phenyl]-pyrrolidin-1-ylmethanone

[2-(phenoxymethyl)phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 78774462) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is [2-(phenoxymethyl)phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(phenoxymethyl)phenyl]-pyrrolidin-1-ylmethanone
PubChem CID78774462
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name[2-(phenoxymethyl)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccccc1COc1ccccc1)N1CCCC1
InChIInChI=1S/C18H19NO2/c20-18(19-12-6-7-13-19)17-11-5-4-8-15(17)14-21-16-9-2-1-3-10-16/h1-5,8-11H,6-7,12-14H2
InChIKeyOQTLZDJWPJLBOR-UHFFFAOYSA-N
XLogP3.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [2-(phenoxymethyl)phenyl]-pyrrolidin-1-ylmethanone with MolForge

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

Launch Full Analysis

Related Compounds

cyclopropyl-[4-[2-(phenoxymethyl)benzoyl]piperazin-1-yl]methanone
CID 17411575
4-hydroxy-1-[2-(phenoxymethyl)benzoyl]piperidine-4-carboxylic acid
CID 119251922
[3-(hydroxymethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
CID 110886871
[(3R)-3-hydroxypyrrolidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
CID 111561150
6-[2-(phenoxymethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175545
[4-(methylaminomethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119544892
[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-[2-(phenoxymethyl)phenyl]methanone
CID 55526800
[4-(2-methylsulfonylethyl)piperazin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
CID 56533667
N-[1-[2-(phenoxymethyl)benzoyl]piperidin-4-yl]benzamide
CID 18131786
[3-(methylaminomethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119396946
azepan-1-yl-[2-(2-phenoxyethoxy)phenyl]methanone
CID 4954316
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
CID 26766046

Frequently Asked Questions

What is the IUPAC name of [2-(phenoxymethyl)phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(phenoxymethyl)phenyl]-pyrrolidin-1-ylmethanone (CID 78774462) is [2-(phenoxymethyl)phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(phenoxymethyl)phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(phenoxymethyl)phenyl]-pyrrolidin-1-ylmethanone is O=C(c1ccccc1COc1ccccc1)N1CCCC1.
What is the InChIKey of [2-(phenoxymethyl)phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is OQTLZDJWPJLBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c20-18(19-12-6-7-13-19)17-11-5-4-8-15(17)14-21-16-9-2-1-3-10-16/h1-5,8-11H,6-7,12-14H2.
What are the key properties of [2-(phenoxymethyl)phenyl]-pyrrolidin-1-ylmethanone?
[2-(phenoxymethyl)phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 281.36 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(phenoxymethyl)phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 78774462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).