(2S)-N-benzyl-2,3-bis(phenylmethoxy)propan-1-imine

C24H25NO2 — CID 10959323

IUPAC(2S)-N-benzyl-2,3-bis(phenylmethoxy)propan-1-imine
SMILESC(=N/Cc1ccccc1)\[C@@H](COCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C24H25NO2/c1-4-10-21(11-5-1)16-25-17-24(27-19-23-14-8-3-9-15-23)20-26-18-22-12-6-2-7-13-22/h1-15,17,24H,16,18-20H2/b25-17+/t24-/m0/s1
InChIKeyRIOGPVPHLUXYIR-IOCYEQIYSA-N
MW359.47 g/mol
LogP5.06
Rot. Bonds10

About (2S)-N-benzyl-2,3-bis(phenylmethoxy)propan-1-imine

(2S)-N-benzyl-2,3-bis(phenylmethoxy)propan-1-imine (PubChem CID 10959323) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is (2S)-N-benzyl-2,3-bis(phenylmethoxy)propan-1-imine.

Molecular Properties

Compound Name(2S)-N-benzyl-2,3-bis(phenylmethoxy)propan-1-imine
PubChem CID10959323
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name(2S)-N-benzyl-2,3-bis(phenylmethoxy)propan-1-imine
SMILESC(=N/Cc1ccccc1)\[C@@H](COCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C24H25NO2/c1-4-10-21(11-5-1)16-25-17-24(27-19-23-14-8-3-9-15-23)20-26-18-22-12-6-2-7-13-22/h1-15,17,24H,16,18-20H2/b25-17+/t24-/m0/s1
InChIKeyRIOGPVPHLUXYIR-IOCYEQIYSA-N
XLogP5.06
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.06
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 (2S)-N-benzyl-2,3-bis(phenylmethoxy)propan-1-imine?
The IUPAC name of (2S)-N-benzyl-2,3-bis(phenylmethoxy)propan-1-imine (CID 10959323) is (2S)-N-benzyl-2,3-bis(phenylmethoxy)propan-1-imine.
What is the SMILES notation for (2S)-N-benzyl-2,3-bis(phenylmethoxy)propan-1-imine?
The canonical SMILES for (2S)-N-benzyl-2,3-bis(phenylmethoxy)propan-1-imine is C(=N/Cc1ccccc1)\[C@@H](COCc1ccccc1)OCc1ccccc1.
What is the InChIKey of (2S)-N-benzyl-2,3-bis(phenylmethoxy)propan-1-imine?
The InChIKey is RIOGPVPHLUXYIR-IOCYEQIYSA-N. The full InChI is InChI=1S/C24H25NO2/c1-4-10-21(11-5-1)16-25-17-24(27-19-23-14-8-3-9-15-23)20-26-18-22-12-6-2-7-13-22/h1-15,17,24H,16,18-20H2/b25-17+/t24-/m0/s1.
What are the key properties of (2S)-N-benzyl-2,3-bis(phenylmethoxy)propan-1-imine?
(2S)-N-benzyl-2,3-bis(phenylmethoxy)propan-1-imine has a molecular weight of 359.47 g/mol, XLogP of 5.06, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2,3-bis(phenylmethoxy)propan-1-imine is sourced from PubChem (CID 10959323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).