(2S)-4-benzylimino-4-phenylbutan-2-ol

C17H19NO — CID 134966557

IUPAC(2S)-4-benzylimino-4-phenylbutan-2-ol
SMILESC[C@H](O)C/C(=N\Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO/c1-14(19)12-17(16-10-6-3-7-11-16)18-13-15-8-4-2-5-9-15/h2-11,14,19H,12-13H2,1H3/b18-17+/t14-/m0/s1
InChIKeyDVLOWEKAUQAOFC-YWMAMYRUSA-N
MW253.35 g/mol
LogP3.45
Rot. Bonds5

About (2S)-4-benzylimino-4-phenylbutan-2-ol

(2S)-4-benzylimino-4-phenylbutan-2-ol (PubChem CID 134966557) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (2S)-4-benzylimino-4-phenylbutan-2-ol.

Molecular Properties

Compound Name(2S)-4-benzylimino-4-phenylbutan-2-ol
PubChem CID134966557
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(2S)-4-benzylimino-4-phenylbutan-2-ol
SMILESC[C@H](O)C/C(=N\Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO/c1-14(19)12-17(16-10-6-3-7-11-16)18-13-15-8-4-2-5-9-15/h2-11,14,19H,12-13H2,1H3/b18-17+/t14-/m0/s1
InChIKeyDVLOWEKAUQAOFC-YWMAMYRUSA-N
XLogP3.45
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
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)-4-benzylimino-4-phenylbutan-2-ol?
The IUPAC name of (2S)-4-benzylimino-4-phenylbutan-2-ol (CID 134966557) is (2S)-4-benzylimino-4-phenylbutan-2-ol.
What is the SMILES notation for (2S)-4-benzylimino-4-phenylbutan-2-ol?
The canonical SMILES for (2S)-4-benzylimino-4-phenylbutan-2-ol is C[C@H](O)C/C(=N\Cc1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-4-benzylimino-4-phenylbutan-2-ol?
The InChIKey is DVLOWEKAUQAOFC-YWMAMYRUSA-N. The full InChI is InChI=1S/C17H19NO/c1-14(19)12-17(16-10-6-3-7-11-16)18-13-15-8-4-2-5-9-15/h2-11,14,19H,12-13H2,1H3/b18-17+/t14-/m0/s1.
What are the key properties of (2S)-4-benzylimino-4-phenylbutan-2-ol?
(2S)-4-benzylimino-4-phenylbutan-2-ol has a molecular weight of 253.35 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-benzylimino-4-phenylbutan-2-ol is sourced from PubChem (CID 134966557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).