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

C21H26N2O — CID 134875177

IUPAC(Z)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2-diphenylpropan-1-imine
SMILESCOCC1CCCN1/N=C(\c1ccccc1)C(C)c1ccccc1
InChIInChI=1S/C21H26N2O/c1-17(18-10-5-3-6-11-18)21(19-12-7-4-8-13-19)22-23-15-9-14-20(23)16-24-2/h3-8,10-13,17,20H,9,14-16H2,1-2H3/b22-21-
InChIKeyNUBMDCUPOVWEDJ-DQRAZIAOSA-N
MW322.45 g/mol
LogP4.31
Rot. Bonds6

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

(Z)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2-diphenylpropan-1-imine (PubChem CID 134875177) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is (Z)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2-diphenylpropan-1-imine.

Molecular Properties

Compound Name(Z)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2-diphenylpropan-1-imine
PubChem CID134875177
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name(Z)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2-diphenylpropan-1-imine
SMILESCOCC1CCCN1/N=C(\c1ccccc1)C(C)c1ccccc1
InChIInChI=1S/C21H26N2O/c1-17(18-10-5-3-6-11-18)21(19-12-7-4-8-13-19)22-23-15-9-14-20(23)16-24-2/h3-8,10-13,17,20H,9,14-16H2,1-2H3/b22-21-
InChIKeyNUBMDCUPOVWEDJ-DQRAZIAOSA-N
XLogP4.31
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.31
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
(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
(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
(E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-diphenylbutan-2-imine
CID 13283581
(E,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-imine
CID 13329770

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2-diphenylpropan-1-imine?
The IUPAC name of (Z)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2-diphenylpropan-1-imine (CID 134875177) is (Z)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2-diphenylpropan-1-imine.
What is the SMILES notation for (Z)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2-diphenylpropan-1-imine?
The canonical SMILES for (Z)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2-diphenylpropan-1-imine is COCC1CCCN1/N=C(\c1ccccc1)C(C)c1ccccc1.
What is the InChIKey of (Z)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2-diphenylpropan-1-imine?
The InChIKey is NUBMDCUPOVWEDJ-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H26N2O/c1-17(18-10-5-3-6-11-18)21(19-12-7-4-8-13-19)22-23-15-9-14-20(23)16-24-2/h3-8,10-13,17,20H,9,14-16H2,1-2H3/b22-21-.
What are the key properties of (Z)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2-diphenylpropan-1-imine?
(Z)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2-diphenylpropan-1-imine has a molecular weight of 322.45 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2-diphenylpropan-1-imine is sourced from PubChem (CID 134875177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).