1-phenyl-N-[(1R)-1-phenylethyl]-1-pyridin-2-ylmethanimine

C20H18N2 — CID 102238244

IUPAC1-phenyl-N-[(1R)-1-phenylethyl]-1-pyridin-2-ylmethanimine
SMILESC[C@@H](/N=C(\c1ccccc1)c1ccccn1)c1ccccc1
InChIInChI=1S/C20H18N2/c1-16(17-10-4-2-5-11-17)22-20(18-12-6-3-7-13-18)19-14-8-9-15-21-19/h2-16H,1H3/b22-20+/t16-/m1/s1
InChIKeyUMKAUJKZHOSUBC-UMIVRTMYSA-N
MW286.38 g/mol
LogP4.68
Rot. Bonds4

About 1-phenyl-N-[(1R)-1-phenylethyl]-1-pyridin-2-ylmethanimine

1-phenyl-N-[(1R)-1-phenylethyl]-1-pyridin-2-ylmethanimine (PubChem CID 102238244) has the molecular formula C20H18N2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-phenyl-N-[(1R)-1-phenylethyl]-1-pyridin-2-ylmethanimine.

Molecular Properties

Compound Name1-phenyl-N-[(1R)-1-phenylethyl]-1-pyridin-2-ylmethanimine
PubChem CID102238244
Molecular FormulaC20H18N2
Molecular Weight286.38 g/mol
Exact Mass286.15
IUPAC Name1-phenyl-N-[(1R)-1-phenylethyl]-1-pyridin-2-ylmethanimine
SMILESC[C@@H](/N=C(\c1ccccc1)c1ccccn1)c1ccccc1
InChIInChI=1S/C20H18N2/c1-16(17-10-4-2-5-11-17)22-20(18-12-6-3-7-13-18)19-14-8-9-15-21-19/h2-16H,1H3/b22-20+/t16-/m1/s1
InChIKeyUMKAUJKZHOSUBC-UMIVRTMYSA-N
XLogP4.68
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.68
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 1-phenyl-N-[(1R)-1-phenylethyl]-1-pyridin-2-ylmethanimine?
The IUPAC name of 1-phenyl-N-[(1R)-1-phenylethyl]-1-pyridin-2-ylmethanimine (CID 102238244) is 1-phenyl-N-[(1R)-1-phenylethyl]-1-pyridin-2-ylmethanimine.
What is the SMILES notation for 1-phenyl-N-[(1R)-1-phenylethyl]-1-pyridin-2-ylmethanimine?
The canonical SMILES for 1-phenyl-N-[(1R)-1-phenylethyl]-1-pyridin-2-ylmethanimine is C[C@@H](/N=C(\c1ccccc1)c1ccccn1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-[(1R)-1-phenylethyl]-1-pyridin-2-ylmethanimine?
The InChIKey is UMKAUJKZHOSUBC-UMIVRTMYSA-N. The full InChI is InChI=1S/C20H18N2/c1-16(17-10-4-2-5-11-17)22-20(18-12-6-3-7-13-18)19-14-8-9-15-21-19/h2-16H,1H3/b22-20+/t16-/m1/s1.
What are the key properties of 1-phenyl-N-[(1R)-1-phenylethyl]-1-pyridin-2-ylmethanimine?
1-phenyl-N-[(1R)-1-phenylethyl]-1-pyridin-2-ylmethanimine has a molecular weight of 286.38 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(1R)-1-phenylethyl]-1-pyridin-2-ylmethanimine is sourced from PubChem (CID 102238244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).