N-benzhydryl-1-phenylethanimine

C21H19N — CID 12878585

IUPACN-benzhydryl-1-phenylethanimine
SMILESC/C(=N\C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19N/c1-17(18-11-5-2-6-12-18)22-21(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21H,1H3/b22-17+
InChIKeyQJAUGPBCUJLPEZ-OQKWZONESA-N
MW285.39 g/mol
LogP5.29
Rot. Bonds4

About N-benzhydryl-1-phenylethanimine

N-benzhydryl-1-phenylethanimine (PubChem CID 12878585) has the molecular formula C21H19N and a molecular weight of 285.39 g/mol. Its IUPAC name is N-benzhydryl-1-phenylethanimine.

Molecular Properties

Compound NameN-benzhydryl-1-phenylethanimine
PubChem CID12878585
Molecular FormulaC21H19N
Molecular Weight285.39 g/mol
Exact Mass285.15
IUPAC NameN-benzhydryl-1-phenylethanimine
SMILESC/C(=N\C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19N/c1-17(18-11-5-2-6-12-18)22-21(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21H,1H3/b22-17+
InChIKeyQJAUGPBCUJLPEZ-OQKWZONESA-N
XLogP5.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.39
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N-benzhydryl-1-phenylethanimine?
The IUPAC name of N-benzhydryl-1-phenylethanimine (CID 12878585) is N-benzhydryl-1-phenylethanimine.
What is the SMILES notation for N-benzhydryl-1-phenylethanimine?
The canonical SMILES for N-benzhydryl-1-phenylethanimine is C/C(=N\C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-1-phenylethanimine?
The InChIKey is QJAUGPBCUJLPEZ-OQKWZONESA-N. The full InChI is InChI=1S/C21H19N/c1-17(18-11-5-2-6-12-18)22-21(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21H,1H3/b22-17+.
What are the key properties of N-benzhydryl-1-phenylethanimine?
N-benzhydryl-1-phenylethanimine has a molecular weight of 285.39 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-phenylethanimine is sourced from PubChem (CID 12878585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).