(E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-diphenylbutan-2-imine

C22H28N2O — CID 13283581

IUPAC(E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-diphenylbutan-2-imine
SMILESCOCC1CCCN1/N=C(\Cc1ccccc1)C(C)c1ccccc1
InChIInChI=1S/C22H28N2O/c1-18(20-12-7-4-8-13-20)22(16-19-10-5-3-6-11-19)23-24-15-9-14-21(24)17-25-2/h3-8,10-13,18,21H,9,14-17H2,1-2H3/b23-22+
InChIKeySSYMTPRVXAPJCT-GHVJWSGMSA-N
MW336.48 g/mol
LogP4.50
Rot. Bonds7

About (E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-diphenylbutan-2-imine

(E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-diphenylbutan-2-imine (PubChem CID 13283581) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is (E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-diphenylbutan-2-imine.

Molecular Properties

Compound Name(E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-diphenylbutan-2-imine
PubChem CID13283581
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name(E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-diphenylbutan-2-imine
SMILESCOCC1CCCN1/N=C(\Cc1ccccc1)C(C)c1ccccc1
InChIInChI=1S/C22H28N2O/c1-18(20-12-7-4-8-13-20)22(16-19-10-5-3-6-11-19)23-24-15-9-14-21(24)17-25-2/h3-8,10-13,18,21H,9,14-17H2,1-2H3/b23-22+
InChIKeySSYMTPRVXAPJCT-GHVJWSGMSA-N
XLogP4.50
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylmethanimine
CID 11024637
(2E)-N,N-dibenzyl-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]iminoethanamine
CID 11078657
(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylethanimine
CID 88927756
4-(4-Fluorophenyl)-2-(2-methoxyethyl)-5-propan-2-yl-3,4-dihydropyrazole
CID 142184104
(E)-2-(3-fluorophenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethanimine
CID 155666015
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylethanimine
CID 10857334
(E,2R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylpropan-1-imine
CID 10868593
(E)-1-(2-diphenylphosphanylphenyl)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanimine
CID 10927540
(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-imine
CID 11139427
(4S)-4-benzhydryl-3-[(E)-propylideneamino]-1,3-oxazolidin-2-one
CID 11301287
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine
CID 11402354
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-imine
CID 11831731

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-diphenylbutan-2-imine?
The IUPAC name of (E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-diphenylbutan-2-imine (CID 13283581) is (E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-diphenylbutan-2-imine.
What is the SMILES notation for (E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-diphenylbutan-2-imine?
The canonical SMILES for (E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-diphenylbutan-2-imine is COCC1CCCN1/N=C(\Cc1ccccc1)C(C)c1ccccc1.
What is the InChIKey of (E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-diphenylbutan-2-imine?
The InChIKey is SSYMTPRVXAPJCT-GHVJWSGMSA-N. The full InChI is InChI=1S/C22H28N2O/c1-18(20-12-7-4-8-13-20)22(16-19-10-5-3-6-11-19)23-24-15-9-14-21(24)17-25-2/h3-8,10-13,18,21H,9,14-17H2,1-2H3/b23-22+.
What are the key properties of (E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-diphenylbutan-2-imine?
(E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-diphenylbutan-2-imine has a molecular weight of 336.48 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-diphenylbutan-2-imine is sourced from PubChem (CID 13283581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).