(2S)-N-benzyl-2-phenylmethoxypropan-1-imine

C17H19NO — CID 101201649

IUPAC(2S)-N-benzyl-2-phenylmethoxypropan-1-imine
SMILESC[C@@H](/C=N/Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H19NO/c1-15(19-14-17-10-6-3-7-11-17)12-18-13-16-8-4-2-5-9-16/h2-12,15H,13-14H2,1H3/b18-12+/t15-/m0/s1
InChIKeyJBYZZCBWCJLIEW-BRFSQIRFSA-N
MW253.35 g/mol
LogP3.86
Rot. Bonds6

About (2S)-N-benzyl-2-phenylmethoxypropan-1-imine

(2S)-N-benzyl-2-phenylmethoxypropan-1-imine (PubChem CID 101201649) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (2S)-N-benzyl-2-phenylmethoxypropan-1-imine.

Molecular Properties

Compound Name(2S)-N-benzyl-2-phenylmethoxypropan-1-imine
PubChem CID101201649
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(2S)-N-benzyl-2-phenylmethoxypropan-1-imine
SMILESC[C@@H](/C=N/Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H19NO/c1-15(19-14-17-10-6-3-7-11-17)12-18-13-16-8-4-2-5-9-16/h2-12,15H,13-14H2,1H3/b18-12+/t15-/m0/s1
InChIKeyJBYZZCBWCJLIEW-BRFSQIRFSA-N
XLogP3.86
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-phenylmethoxypropan-1-imine?
The IUPAC name of (2S)-N-benzyl-2-phenylmethoxypropan-1-imine (CID 101201649) is (2S)-N-benzyl-2-phenylmethoxypropan-1-imine.
What is the SMILES notation for (2S)-N-benzyl-2-phenylmethoxypropan-1-imine?
The canonical SMILES for (2S)-N-benzyl-2-phenylmethoxypropan-1-imine is C[C@@H](/C=N/Cc1ccccc1)OCc1ccccc1.
What is the InChIKey of (2S)-N-benzyl-2-phenylmethoxypropan-1-imine?
The InChIKey is JBYZZCBWCJLIEW-BRFSQIRFSA-N. The full InChI is InChI=1S/C17H19NO/c1-15(19-14-17-10-6-3-7-11-17)12-18-13-16-8-4-2-5-9-16/h2-12,15H,13-14H2,1H3/b18-12+/t15-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-phenylmethoxypropan-1-imine?
(2S)-N-benzyl-2-phenylmethoxypropan-1-imine has a molecular weight of 253.35 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-phenylmethoxypropan-1-imine is sourced from PubChem (CID 101201649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).