[1-methyl-5-[2-(oxetan-3-yloxy)phenyl]pyrrolidin-3-yl]methanamine

C15H22N2O2 — CID 117410820

IUPAC[1-methyl-5-[2-(oxetan-3-yloxy)phenyl]pyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)CC1c1ccccc1OC1COC1
InChIInChI=1S/C15H22N2O2/c1-17-8-11(7-16)6-14(17)13-4-2-3-5-15(13)19-12-9-18-10-12/h2-5,11-12,14H,6-10,16H2,1H3
InChIKeyPGHYWWNUIDJPLI-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.42
Rot. Bonds4

About [1-methyl-5-[2-(oxetan-3-yloxy)phenyl]pyrrolidin-3-yl]methanamine

[1-methyl-5-[2-(oxetan-3-yloxy)phenyl]pyrrolidin-3-yl]methanamine (PubChem CID 117410820) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [1-methyl-5-[2-(oxetan-3-yloxy)phenyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-5-[2-(oxetan-3-yloxy)phenyl]pyrrolidin-3-yl]methanamine
PubChem CID117410820
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[1-methyl-5-[2-(oxetan-3-yloxy)phenyl]pyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)CC1c1ccccc1OC1COC1
InChIInChI=1S/C15H22N2O2/c1-17-8-11(7-16)6-14(17)13-4-2-3-5-15(13)19-12-9-18-10-12/h2-5,11-12,14H,6-10,16H2,1H3
InChIKeyPGHYWWNUIDJPLI-UHFFFAOYSA-N
XLogP1.42
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-methyl-5-[2-(oxetan-3-yloxy)phenyl]pyrrolidin-3-yl]methanamine 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 [1-methyl-5-[2-(oxetan-3-yloxy)phenyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-methyl-5-[2-(oxetan-3-yloxy)phenyl]pyrrolidin-3-yl]methanamine (CID 117410820) is [1-methyl-5-[2-(oxetan-3-yloxy)phenyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-methyl-5-[2-(oxetan-3-yloxy)phenyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-methyl-5-[2-(oxetan-3-yloxy)phenyl]pyrrolidin-3-yl]methanamine is CN1CC(CN)CC1c1ccccc1OC1COC1.
What is the InChIKey of [1-methyl-5-[2-(oxetan-3-yloxy)phenyl]pyrrolidin-3-yl]methanamine?
The InChIKey is PGHYWWNUIDJPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17-8-11(7-16)6-14(17)13-4-2-3-5-15(13)19-12-9-18-10-12/h2-5,11-12,14H,6-10,16H2,1H3.
What are the key properties of [1-methyl-5-[2-(oxetan-3-yloxy)phenyl]pyrrolidin-3-yl]methanamine?
[1-methyl-5-[2-(oxetan-3-yloxy)phenyl]pyrrolidin-3-yl]methanamine has a molecular weight of 262.35 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-[2-(oxetan-3-yloxy)phenyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117410820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).