1-[2-[(4R)-4-phenyl-1,3,2-dioxaborolan-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine

C23H22BNO2 — CID 102185869

IUPAC1-[2-[(4R)-4-phenyl-1,3,2-dioxaborolan-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine
SMILESC[C@H](/N=C/c1ccccc1B1OC[C@@H](c2ccccc2)O1)c1ccccc1
InChIInChI=1S/C23H22BNO2/c1-18(19-10-4-2-5-11-19)25-16-21-14-8-9-15-22(21)24-26-17-23(27-24)20-12-6-3-7-13-20/h2-16,18,23H,17H2,1H3/b25-16+/t18-,23-/m0/s1
InChIKeyFMPHBHUVLRYRLK-HVHZHASVSA-N
MW355.25 g/mol
LogP4.35
Rot. Bonds5

About 1-[2-[(4R)-4-phenyl-1,3,2-dioxaborolan-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine

1-[2-[(4R)-4-phenyl-1,3,2-dioxaborolan-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine (PubChem CID 102185869) has the molecular formula C23H22BNO2 and a molecular weight of 355.25 g/mol. Its IUPAC name is 1-[2-[(4R)-4-phenyl-1,3,2-dioxaborolan-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine.

Molecular Properties

Compound Name1-[2-[(4R)-4-phenyl-1,3,2-dioxaborolan-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine
PubChem CID102185869
Molecular FormulaC23H22BNO2
Molecular Weight355.25 g/mol
Exact Mass355.17
IUPAC Name1-[2-[(4R)-4-phenyl-1,3,2-dioxaborolan-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine
SMILESC[C@H](/N=C/c1ccccc1B1OC[C@@H](c2ccccc2)O1)c1ccccc1
InChIInChI=1S/C23H22BNO2/c1-18(19-10-4-2-5-11-19)25-16-21-14-8-9-15-22(21)24-26-17-23(27-24)20-12-6-3-7-13-20/h2-16,18,23H,17H2,1H3/b25-16+/t18-,23-/m0/s1
InChIKeyFMPHBHUVLRYRLK-HVHZHASVSA-N
XLogP4.35
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.25
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-[(1S)-1-phenylethyl]-2,3-bis(phenylmethoxy)propan-1-imine
CID 10861667
(4R,5R)-2,4,5-triphenyl-4,5-dihydro-1,3-oxazole
CID 12480108
(2S)-N-[(1R)-1-phenylethyl]-2,3-bis(phenylmethoxy)propan-1-imine
CID 15497445
(1R,2S)-2-(benzylideneamino)-1,2-diphenylethanol
CID 101237804
(1S,2R)-2-(benzylideneamino)-1,2-diphenylethanol
CID 101237805
1-phenyl-N-[(1R)-1-phenyl-2-phenylmethoxyethyl]methanimine
CID 101731359
1-[5-fluoro-2-(4-methyl-4-phenyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-(1-phenylethyl)methanimine
CID 25185242
1-[5-fluoro-2-[(4R)-4-phenyl-1,3,2-dioxaborinan-2-yl]phenyl]-N-(1-phenylethyl)methanimine
CID 25185246
N-[1-(4-fluorophenyl)ethyl]-1-[2-[(4S)-4-phenyl-1,3,2-dioxaborolan-2-yl]phenyl]methanimine
CID 25185522
1-[5-fluoro-2-[(4S)-4-phenyl-1,3,2-dioxaborolan-2-yl]phenyl]-N-(1-phenylethyl)methanimine
CID 25185524
N-[1-(4-fluorophenyl)ethyl]-1-[2-(4-methyl-4-phenyl-1,3,2-dioxaborolan-2-yl)phenyl]methanimine
CID 25189384
1-[4-fluoro-2-[(4R)-4-methyl-4-phenyl-1,3,2-dioxaborolan-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine
CID 102037801

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4R)-4-phenyl-1,3,2-dioxaborolan-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine?
The IUPAC name of 1-[2-[(4R)-4-phenyl-1,3,2-dioxaborolan-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine (CID 102185869) is 1-[2-[(4R)-4-phenyl-1,3,2-dioxaborolan-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine.
What is the SMILES notation for 1-[2-[(4R)-4-phenyl-1,3,2-dioxaborolan-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine?
The canonical SMILES for 1-[2-[(4R)-4-phenyl-1,3,2-dioxaborolan-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine is C[C@H](/N=C/c1ccccc1B1OC[C@@H](c2ccccc2)O1)c1ccccc1.
What is the InChIKey of 1-[2-[(4R)-4-phenyl-1,3,2-dioxaborolan-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine?
The InChIKey is FMPHBHUVLRYRLK-HVHZHASVSA-N. The full InChI is InChI=1S/C23H22BNO2/c1-18(19-10-4-2-5-11-19)25-16-21-14-8-9-15-22(21)24-26-17-23(27-24)20-12-6-3-7-13-20/h2-16,18,23H,17H2,1H3/b25-16+/t18-,23-/m0/s1.
What are the key properties of 1-[2-[(4R)-4-phenyl-1,3,2-dioxaborolan-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine?
1-[2-[(4R)-4-phenyl-1,3,2-dioxaborolan-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine has a molecular weight of 355.25 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4R)-4-phenyl-1,3,2-dioxaborolan-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine is sourced from PubChem (CID 102185869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).