(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine

C15H22N2O — CID 11402354

IUPAC(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine
SMILESCOC[C@@H]1CCCN1/N=C/CCc1ccccc1
InChIInChI=1S/C15H22N2O/c1-18-13-15-10-6-12-17(15)16-11-5-9-14-7-3-2-4-8-14/h2-4,7-8,11,15H,5-6,9-10,12-13H2,1H3/b16-11+/t15-/m0/s1
InChIKeyBMHKFQXFMRKBTO-KFXIKWRMSA-N
MW246.35 g/mol
LogP2.72
Rot. Bonds6

About (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine

(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine (PubChem CID 11402354) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine.

Molecular Properties

Compound Name(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine
PubChem CID11402354
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine
SMILESCOC[C@@H]1CCCN1/N=C/CCc1ccccc1
InChIInChI=1S/C15H22N2O/c1-18-13-15-10-6-12-17(15)16-11-5-9-14-7-3-2-4-8-14/h2-4,7-8,11,15H,5-6,9-10,12-13H2,1H3/b16-11+/t15-/m0/s1
InChIKeyBMHKFQXFMRKBTO-KFXIKWRMSA-N
XLogP2.72
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine 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 (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine?
The IUPAC name of (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine (CID 11402354) is (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine.
What is the SMILES notation for (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine?
The canonical SMILES for (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine is COC[C@@H]1CCCN1/N=C/CCc1ccccc1.
What is the InChIKey of (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine?
The InChIKey is BMHKFQXFMRKBTO-KFXIKWRMSA-N. The full InChI is InChI=1S/C15H22N2O/c1-18-13-15-10-6-12-17(15)16-11-5-9-14-7-3-2-4-8-14/h2-4,7-8,11,15H,5-6,9-10,12-13H2,1H3/b16-11+/t15-/m0/s1.
What are the key properties of (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine?
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine has a molecular weight of 246.35 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine is sourced from PubChem (CID 11402354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).