N-[furan-2-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine;N-[(1S)-1-(2-methylphenyl)ethyl]-1-pyridin-2-ylmethanimine;N-[[3-methyl-5-(trifluoromethyl)phenyl]-phenylmethyl]-1-pyridin-2-ylmethanimine;N-[naphthalen-1-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine;N-[naphthalen-2-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine

C₉₉H₈₃F₃N₁₀O — CID 158316818

About N-[furan-2-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine;N-[(1S)-1-(2-methylphenyl)ethyl]-1-pyridin-2-ylmethanimine;N-[[3-methyl-5-(trifluoromethyl)phenyl]-phenylmethyl]-1-pyridin-2-ylmethanimine;N-[naphthalen-1-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine;N-[naphthalen-2-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine

N-[furan-2-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine;N-[(1S)-1-(2-methylphenyl)ethyl]-1-pyridin-2-ylmethanimine;N-[[3-methyl-5-(trifluoromethyl)phenyl]-phenylmethyl]-1-pyridin-2-ylmethanimine;N-[naphthalen-1-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine;N-[naphthalen-2-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine (PubChem CID 158316818) has the molecular formula C₉₉H₈₃F₃N₁₀O and a molecular weight of 1485.82 g/mol. Its IUPAC name is N-[furan-2-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine;N-[(1S)-1-(2-methylphenyl)ethyl]-1-pyridin-2-ylmethanimine;N-[[3-methyl-5-(trifluoromethyl)phenyl]-phenylmethyl]-1-pyridin-2-ylmethanimine;N-[naphthalen-1-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine;N-[naphthalen-2-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine.

Molecular Properties

• Compound Name: N-[furan-2-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine;N-[(1S)-1-(2-methylphenyl)ethyl]-1-pyridin-2-ylmethanimine;N-[[3-methyl-5-(trifluoromethyl)phenyl]-phenylmethyl]-1-pyridin-2-ylmethanimine;N-[naphthalen-1-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine;N-[naphthalen-2-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine
• PubChem CID: 158316818
• Molecular Formula: C₉₉H₈₃F₃N₁₀O
• Molecular Weight: 1485.82 g/mol
• Exact Mass: 1484.67
• IUPAC Name: N-[furan-2-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine;N-[(1S)-1-(2-methylphenyl)ethyl]-1-pyridin-2-ylmethanimine;N-[[3-methyl-5-(trifluoromethyl)phenyl]-phenylmethyl]-1-pyridin-2-ylmethanimine;N-[naphthalen-1-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine;N-[naphthalen-2-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine
• SMILES: C(=N/C(c1ccccc1)c1ccc2ccccc2c1)\c1ccccn1.C(=N/C(c1ccccc1)c1cccc2ccccc12)\c1ccccn1.C(=N/C(c1ccccc1)c1ccco1)\c1ccccn1.Cc1cc(C(/N=C/c2ccccn2)c2ccccc2)cc(C(F)(F)F)c1.Cc1ccccc1[C@H](C)/N=C/c1ccccn1
• InChI: InChI=1S/2C23H18N2.C21H17F3N2.C17H14N2O.C15H16N2/c1-2-10-19(11-3-1)23(25-17-20-13-6-7-16-24-20)22-15-8-12-18-9-4-5-14-21(18)22;1-2-9-19(10-3-1)23(25-17-22-12-6-7-15-24-22)21-14-13-18-8-4-5-11-20(18)16-21;1-15-11-17(13-18(12-15)21(22,23)24)20(16-7-3-2-4-8-16)26-14-19-9-5-6-10-25-19;1-2-7-14(8-3-1)17(16-10-6-12-20-16)19-13-15-9-4-5-11-18-15;1-12-7-3-4-9-15(12)13(2)17-11-14-8-5-6-10-16-14/h2*1-17,23H;2-14,20H,1H3;1-13,17H;3-11,13H,1-2H3/b2*25-17+;26-14+;19-13+;17-11+/t;;;;13-/m....0/s1
• InChIKey: GOIZCXCPWWTZOR-WZNPJVJYSA-N
• XLogP: 23.96
• TPSA: 139.39 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 19
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1485.82
LogP ≤ 5	23.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine;N-[(1S)-1-(2-methylphenyl)ethyl]-1-pyridin-2-ylmethanimine;N-[[3-methyl-5-(trifluoromethyl)phenyl]-phenylmethyl]-1-pyridin-2-ylmethanimine;N-[naphthalen-1-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine;N-[naphthalen-2-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine?

The IUPAC name of N-[furan-2-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine;N-[(1S)-1-(2-methylphenyl)ethyl]-1-pyridin-2-ylmethanimine;N-[[3-methyl-5-(trifluoromethyl)phenyl]-phenylmethyl]-1-pyridin-2-ylmethanimine;N-[naphthalen-1-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine;N-[naphthalen-2-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine (CID 158316818) is N-[furan-2-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine;N-[(1S)-1-(2-methylphenyl)ethyl]-1-pyridin-2-ylmethanimine;N-[[3-methyl-5-(trifluoromethyl)phenyl]-phenylmethyl]-1-pyridin-2-ylmethanimine;N-[naphthalen-1-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine;N-[naphthalen-2-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine.

What is the SMILES notation for N-[furan-2-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine;N-[(1S)-1-(2-methylphenyl)ethyl]-1-pyridin-2-ylmethanimine;N-[[3-methyl-5-(trifluoromethyl)phenyl]-phenylmethyl]-1-pyridin-2-ylmethanimine;N-[naphthalen-1-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine;N-[naphthalen-2-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine?

The canonical SMILES for N-[furan-2-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine;N-[(1S)-1-(2-methylphenyl)ethyl]-1-pyridin-2-ylmethanimine;N-[[3-methyl-5-(trifluoromethyl)phenyl]-phenylmethyl]-1-pyridin-2-ylmethanimine;N-[naphthalen-1-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine;N-[naphthalen-2-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine is C(=N/C(c1ccccc1)c1ccc2ccccc2c1)\c1ccccn1.C(=N/C(c1ccccc1)c1cccc2ccccc12)\c1ccccn1.C(=N/C(c1ccccc1)c1ccco1)\c1ccccn1.Cc1cc(C(/N=C/c2ccccn2)c2ccccc2)cc(C(F)(F)F)c1.Cc1ccccc1[C@H](C)/N=C/c1ccccn1.

What is the InChIKey of N-[furan-2-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine;N-[(1S)-1-(2-methylphenyl)ethyl]-1-pyridin-2-ylmethanimine;N-[[3-methyl-5-(trifluoromethyl)phenyl]-phenylmethyl]-1-pyridin-2-ylmethanimine;N-[naphthalen-1-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine;N-[naphthalen-2-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine?

The InChIKey is GOIZCXCPWWTZOR-WZNPJVJYSA-N. The full InChI is InChI=1S/2C23H18N2.C21H17F3N2.C17H14N2O.C15H16N2/c1-2-10-19(11-3-1)23(25-17-20-13-6-7-16-24-20)22-15-8-12-18-9-4-5-14-21(18)22;1-2-9-19(10-3-1)23(25-17-22-12-6-7-15-24-22)21-14-13-18-8-4-5-11-20(18)16-21;1-15-11-17(13-18(12-15)21(22,23)24)20(16-7-3-2-4-8-16)26-14-19-9-5-6-10-25-19;1-2-7-14(8-3-1)17(16-10-6-12-20-16)19-13-15-9-4-5-11-18-15;1-12-7-3-4-9-15(12)13(2)17-11-14-8-5-6-10-16-14/h2*1-17,23H;2-14,20H,1H3;1-13,17H;3-11,13H,1-2H3/b2*25-17+;26-14+;19-13+;17-11+/t;;;;13-/m....0/s1.

What are the key properties of N-[furan-2-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine;N-[(1S)-1-(2-methylphenyl)ethyl]-1-pyridin-2-ylmethanimine;N-[[3-methyl-5-(trifluoromethyl)phenyl]-phenylmethyl]-1-pyridin-2-ylmethanimine;N-[naphthalen-1-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine;N-[naphthalen-2-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine?

N-[furan-2-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine;N-[(1S)-1-(2-methylphenyl)ethyl]-1-pyridin-2-ylmethanimine;N-[[3-methyl-5-(trifluoromethyl)phenyl]-phenylmethyl]-1-pyridin-2-ylmethanimine;N-[naphthalen-1-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine;N-[naphthalen-2-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine has a molecular weight of 1485.82 g/mol, XLogP of 23.96, 19 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[furan-2-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine;N-[(1S)-1-(2-methylphenyl)ethyl]-1-pyridin-2-ylmethanimine;N-[[3-methyl-5-(trifluoromethyl)phenyl]-phenylmethyl]-1-pyridin-2-ylmethanimine;N-[naphthalen-1-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine;N-[naphthalen-2-yl(phenyl)methyl]-1-pyridin-2-ylmethanimine is sourced from PubChem (CID 158316818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158316818 — identifiers, structure, computed properties (public domain)

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