(1Z,2R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-1-phenylpropan-2-ol

C15H22N2O2 — CID 135048425

IUPAC(1Z,2R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-1-phenylpropan-2-ol
SMILESCOC[C@@H]1CCCN1/N=C(/c1ccccc1)[C@@H](C)O
InChIInChI=1S/C15H22N2O2/c1-12(18)15(13-7-4-3-5-8-13)16-17-10-6-9-14(17)11-19-2/h3-5,7-8,12,14,18H,6,9-11H2,1-2H3/b16-15+/t12-,14+/m1/s1
InChIKeyCWSMBQHGIRAPQL-UIUQPETLSA-N
MW262.35 g/mol
LogP1.88
Rot. Bonds5

About (1Z,2R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-1-phenylpropan-2-ol

(1Z,2R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-1-phenylpropan-2-ol (PubChem CID 135048425) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (1Z,2R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-1-phenylpropan-2-ol.

Molecular Properties

Compound Name(1Z,2R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-1-phenylpropan-2-ol
PubChem CID135048425
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(1Z,2R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-1-phenylpropan-2-ol
SMILESCOC[C@@H]1CCCN1/N=C(/c1ccccc1)[C@@H](C)O
InChIInChI=1S/C15H22N2O2/c1-12(18)15(13-7-4-3-5-8-13)16-17-10-6-9-14(17)11-19-2/h3-5,7-8,12,14,18H,6,9-11H2,1-2H3/b16-15+/t12-,14+/m1/s1
InChIKeyCWSMBQHGIRAPQL-UIUQPETLSA-N
XLogP1.88
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1Z,2R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-1-phenylpropan-2-ol with MolForge

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Related Compounds

(E)-2-[(E)-but-2-enoxy]-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-1-phenylethanimine
CID 134880515
(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylethanimine
CID 88927756
(1E,2R,3S)-3-ethenyl-1-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]imino-1-phenylhexan-2-ol
CID 10861994
(E)-2-[(E)-hex-2-enoxy]-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-1-phenylethanimine
CID 11047331
(Z)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-imine
CID 11139427
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-imine
CID 11831731
(1Z)-1-(dimethylhydrazinylidene)-1-phenylpent-4-en-2-ol
CID 14470973
(1E,2R,3S)-1-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]imino-3-methyl-1-phenylpent-4-en-2-ol
CID 15256157
(Z,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(E)-3-phenylprop-2-enyl]oxetan-3-imine
CID 73055851
(Z,2S)-2-benzyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]oxetan-3-imine
CID 73057857
(Z,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylbutan-1-imine
CID 134866380
(1E,2R)-1-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]imino-3,3-dimethyl-1-phenylpent-4-en-2-ol
CID 134880371

Frequently Asked Questions

What is the IUPAC name of (1Z,2R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-1-phenylpropan-2-ol?
The IUPAC name of (1Z,2R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-1-phenylpropan-2-ol (CID 135048425) is (1Z,2R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-1-phenylpropan-2-ol.
What is the SMILES notation for (1Z,2R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-1-phenylpropan-2-ol?
The canonical SMILES for (1Z,2R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-1-phenylpropan-2-ol is COC[C@@H]1CCCN1/N=C(/c1ccccc1)[C@@H](C)O.
What is the InChIKey of (1Z,2R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-1-phenylpropan-2-ol?
The InChIKey is CWSMBQHGIRAPQL-UIUQPETLSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12(18)15(13-7-4-3-5-8-13)16-17-10-6-9-14(17)11-19-2/h3-5,7-8,12,14,18H,6,9-11H2,1-2H3/b16-15+/t12-,14+/m1/s1.
What are the key properties of (1Z,2R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-1-phenylpropan-2-ol?
(1Z,2R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-1-phenylpropan-2-ol has a molecular weight of 262.35 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,2R)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-1-phenylpropan-2-ol is sourced from PubChem (CID 135048425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).