N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,3-diphenylpropan-2-imine

C21H26N2O — CID 13283552

IUPACN-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,3-diphenylpropan-2-imine
SMILESCOC[C@@H]1CCCN1N=C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H26N2O/c1-24-17-21-13-8-14-23(21)22-20(15-18-9-4-2-5-10-18)16-19-11-6-3-7-12-19/h2-7,9-12,21H,8,13-17H2,1H3/t21-/m0/s1
InChIKeySCYYFRLKADYZSO-NRFANRHFSA-N
MW322.45 g/mol
LogP3.94
Rot. Bonds7

About N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,3-diphenylpropan-2-imine

N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,3-diphenylpropan-2-imine (PubChem CID 13283552) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,3-diphenylpropan-2-imine.

Molecular Properties

Compound NameN-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,3-diphenylpropan-2-imine
PubChem CID13283552
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,3-diphenylpropan-2-imine
SMILESCOC[C@@H]1CCCN1N=C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H26N2O/c1-24-17-21-13-8-14-23(21)22-20(15-18-9-4-2-5-10-18)16-19-11-6-3-7-12-19/h2-7,9-12,21H,8,13-17H2,1H3/t21-/m0/s1
InChIKeySCYYFRLKADYZSO-NRFANRHFSA-N
XLogP3.94
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,3-diphenylpropan-2-imine?
The IUPAC name of N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,3-diphenylpropan-2-imine (CID 13283552) is N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,3-diphenylpropan-2-imine.
What is the SMILES notation for N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,3-diphenylpropan-2-imine?
The canonical SMILES for N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,3-diphenylpropan-2-imine is COC[C@@H]1CCCN1N=C(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,3-diphenylpropan-2-imine?
The InChIKey is SCYYFRLKADYZSO-NRFANRHFSA-N. The full InChI is InChI=1S/C21H26N2O/c1-24-17-21-13-8-14-23(21)22-20(15-18-9-4-2-5-10-18)16-19-11-6-3-7-12-19/h2-7,9-12,21H,8,13-17H2,1H3/t21-/m0/s1.
What are the key properties of N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,3-diphenylpropan-2-imine?
N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,3-diphenylpropan-2-imine has a molecular weight of 322.45 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,3-diphenylpropan-2-imine is sourced from PubChem (CID 13283552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).