(2S)-N-[(1R)-1-phenylethyl]-2,3-bis(phenylmethoxy)propan-1-imine

C25H27NO2 — CID 15497445

IUPAC(2S)-N-[(1R)-1-phenylethyl]-2,3-bis(phenylmethoxy)propan-1-imine
SMILESC[C@@H](/N=C/[C@@H](COCc1ccccc1)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C25H27NO2/c1-21(24-15-9-4-10-16-24)26-17-25(28-19-23-13-7-3-8-14-23)20-27-18-22-11-5-2-6-12-22/h2-17,21,25H,18-20H2,1H3/b26-17+/t21-,25+/m1/s1
InChIKeyJBLMYWGHCWYKFY-WCBLKNDYSA-N
MW373.50 g/mol
LogP5.62
Rot. Bonds10

About (2S)-N-[(1R)-1-phenylethyl]-2,3-bis(phenylmethoxy)propan-1-imine

(2S)-N-[(1R)-1-phenylethyl]-2,3-bis(phenylmethoxy)propan-1-imine (PubChem CID 15497445) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-phenylethyl]-2,3-bis(phenylmethoxy)propan-1-imine.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-phenylethyl]-2,3-bis(phenylmethoxy)propan-1-imine
PubChem CID15497445
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name(2S)-N-[(1R)-1-phenylethyl]-2,3-bis(phenylmethoxy)propan-1-imine
SMILESC[C@@H](/N=C/[C@@H](COCc1ccccc1)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C25H27NO2/c1-21(24-15-9-4-10-16-24)26-17-25(28-19-23-13-7-3-8-14-23)20-27-18-22-11-5-2-6-12-22/h2-17,21,25H,18-20H2,1H3/b26-17+/t21-,25+/m1/s1
InChIKeyJBLMYWGHCWYKFY-WCBLKNDYSA-N
XLogP5.62
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.62
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

(4R,5S,4'R,5'S)-2,2'-Methylenebis(4,5-diphenyl-2-oxazoline)
CID 2818124
(4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene)bis(4,5-dihydro-4,5-diphenyloxazole)
CID 15358971
(R,S)-BisPh-mebBox
CID 3701334
2-Methyl-4,5-diphenyl-4,5-dihydrooxazole
CID 583045
(2r,3r,4r)-3,4-Bis(benzyloxy)-2-(benzyloxymethyl)-3,4-dihydro-2h-pyrrole 1-oxide
CID 11350584
N-benzyl-2-phenylmethoxyethanimine oxide
CID 11832006
(4R,5R)-2-(4-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 44550907
(4R,5R)-2-(2-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 101797567
(4R,5R)-2-(3-fluorophenyl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 101797569
Benzyl(2-(benzyloxy)-1-phenylethyl)azane oxide
CID 6285465
(2S)-N-benzyl-2-phenylmethoxypropan-1-imine oxide
CID 2753974
Mveveebnmblbjg-pmacekpbsa-
CID 10860732

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-phenylethyl]-2,3-bis(phenylmethoxy)propan-1-imine?
The IUPAC name of (2S)-N-[(1R)-1-phenylethyl]-2,3-bis(phenylmethoxy)propan-1-imine (CID 15497445) is (2S)-N-[(1R)-1-phenylethyl]-2,3-bis(phenylmethoxy)propan-1-imine.
What is the SMILES notation for (2S)-N-[(1R)-1-phenylethyl]-2,3-bis(phenylmethoxy)propan-1-imine?
The canonical SMILES for (2S)-N-[(1R)-1-phenylethyl]-2,3-bis(phenylmethoxy)propan-1-imine is C[C@@H](/N=C/[C@@H](COCc1ccccc1)OCc1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-N-[(1R)-1-phenylethyl]-2,3-bis(phenylmethoxy)propan-1-imine?
The InChIKey is JBLMYWGHCWYKFY-WCBLKNDYSA-N. The full InChI is InChI=1S/C25H27NO2/c1-21(24-15-9-4-10-16-24)26-17-25(28-19-23-13-7-3-8-14-23)20-27-18-22-11-5-2-6-12-22/h2-17,21,25H,18-20H2,1H3/b26-17+/t21-,25+/m1/s1.
What are the key properties of (2S)-N-[(1R)-1-phenylethyl]-2,3-bis(phenylmethoxy)propan-1-imine?
(2S)-N-[(1R)-1-phenylethyl]-2,3-bis(phenylmethoxy)propan-1-imine has a molecular weight of 373.50 g/mol, XLogP of 5.62, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-phenylethyl]-2,3-bis(phenylmethoxy)propan-1-imine is sourced from PubChem (CID 15497445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).