N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,1-diphenylmethanimine

C19H22N2O — CID 100975842

IUPACN-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,1-diphenylmethanimine
SMILESCOC[C@@H]1CCCN1N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2O/c1-22-15-18-13-8-14-21(18)20-19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18H,8,13-15H2,1H3/t18-/m0/s1
InChIKeyJPSPGGVAWXBSLH-SFHVURJKSA-N
MW294.40 g/mol
LogP3.55
Rot. Bonds5

About N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,1-diphenylmethanimine

N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,1-diphenylmethanimine (PubChem CID 100975842) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,1-diphenylmethanimine
PubChem CID100975842
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,1-diphenylmethanimine
SMILESCOC[C@@H]1CCCN1N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2O/c1-22-15-18-13-8-14-21(18)20-19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18H,8,13-15H2,1H3/t18-/m0/s1
InChIKeyJPSPGGVAWXBSLH-SFHVURJKSA-N
XLogP3.55
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.55
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]-1,1-diphenylmethanimine?
The IUPAC name of N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,1-diphenylmethanimine (CID 100975842) is N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,1-diphenylmethanimine is COC[C@@H]1CCCN1N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,1-diphenylmethanimine?
The InChIKey is JPSPGGVAWXBSLH-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22N2O/c1-22-15-18-13-8-14-21(18)20-19(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18H,8,13-15H2,1H3/t18-/m0/s1.
What are the key properties of N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,1-diphenylmethanimine?
N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,1-diphenylmethanimine has a molecular weight of 294.40 g/mol, XLogP of 3.55, 5 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]-1,1-diphenylmethanimine is sourced from PubChem (CID 100975842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).