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

C24H24BNO2 — CID 102185872

IUPAC1-[2-[(4S)-4-methyl-4-phenyl-1,3,2-dioxaborolan-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine
SMILESC[C@H](/N=C/c1ccccc1B1OC[C@](C)(c2ccccc2)O1)c1ccccc1
InChIInChI=1S/C24H24BNO2/c1-19(20-11-5-3-6-12-20)26-17-21-13-9-10-16-23(21)25-27-18-24(2,28-25)22-14-7-4-8-15-22/h3-17,19H,18H2,1-2H3/b26-17+/t19-,24+/m0/s1
InChIKeyJLYJBYNRQCAIGH-CTQZWHKXSA-N
MW369.27 g/mol
LogP4.52
Rot. Bonds5

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

1-[2-[(4S)-4-methyl-4-phenyl-1,3,2-dioxaborolan-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine (PubChem CID 102185872) has the molecular formula C24H24BNO2 and a molecular weight of 369.27 g/mol. Its IUPAC name is 1-[2-[(4S)-4-methyl-4-phenyl-1,3,2-dioxaborolan-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine.

Molecular Properties

Compound Name1-[2-[(4S)-4-methyl-4-phenyl-1,3,2-dioxaborolan-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine
PubChem CID102185872
Molecular FormulaC24H24BNO2
Molecular Weight369.27 g/mol
Exact Mass369.19
IUPAC Name1-[2-[(4S)-4-methyl-4-phenyl-1,3,2-dioxaborolan-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine
SMILESC[C@H](/N=C/c1ccccc1B1OC[C@](C)(c2ccccc2)O1)c1ccccc1
InChIInChI=1S/C24H24BNO2/c1-19(20-11-5-3-6-12-20)26-17-21-13-9-10-16-23(21)25-27-18-24(2,28-25)22-14-7-4-8-15-22/h3-17,19H,18H2,1-2H3/b26-17+/t19-,24+/m0/s1
InChIKeyJLYJBYNRQCAIGH-CTQZWHKXSA-N
XLogP4.52
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.27
LogP ≤ 54.52
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

(1R,2S)-2-(benzylideneamino)-1,2-diphenylethanol
CID 101237804
(1S,2R)-2-(benzylideneamino)-1,2-diphenylethanol
CID 101237805
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
1-[4-fluoro-2-[(4S)-4-methyl-4-phenyl-1,3,2-dioxaborolan-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine
CID 102037802
1-[4-fluoro-2-[(4R)-4-methyl-4-phenyl-1,3,2-dioxaborolan-2-yl]phenyl]-N-[(1R)-1-phenylethyl]methanimine
CID 102037803
1-[4-fluoro-2-[(4S)-4-methyl-4-phenyl-1,3,2-dioxaborolan-2-yl]phenyl]-N-[(1R)-1-phenylethyl]methanimine
CID 102037804
1-[4-fluoro-2-[(4R)-4-phenyl-1,3,2-dioxaborinan-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine
CID 102037810

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4S)-4-methyl-4-phenyl-1,3,2-dioxaborolan-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine?
The IUPAC name of 1-[2-[(4S)-4-methyl-4-phenyl-1,3,2-dioxaborolan-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine (CID 102185872) is 1-[2-[(4S)-4-methyl-4-phenyl-1,3,2-dioxaborolan-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine.
What is the SMILES notation for 1-[2-[(4S)-4-methyl-4-phenyl-1,3,2-dioxaborolan-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine?
The canonical SMILES for 1-[2-[(4S)-4-methyl-4-phenyl-1,3,2-dioxaborolan-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine is C[C@H](/N=C/c1ccccc1B1OC[C@](C)(c2ccccc2)O1)c1ccccc1.
What is the InChIKey of 1-[2-[(4S)-4-methyl-4-phenyl-1,3,2-dioxaborolan-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine?
The InChIKey is JLYJBYNRQCAIGH-CTQZWHKXSA-N. The full InChI is InChI=1S/C24H24BNO2/c1-19(20-11-5-3-6-12-20)26-17-21-13-9-10-16-23(21)25-27-18-24(2,28-25)22-14-7-4-8-15-22/h3-17,19H,18H2,1-2H3/b26-17+/t19-,24+/m0/s1.
What are the key properties of 1-[2-[(4S)-4-methyl-4-phenyl-1,3,2-dioxaborolan-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine?
1-[2-[(4S)-4-methyl-4-phenyl-1,3,2-dioxaborolan-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine has a molecular weight of 369.27 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4S)-4-methyl-4-phenyl-1,3,2-dioxaborolan-2-yl]phenyl]-N-[(1S)-1-phenylethyl]methanimine is sourced from PubChem (CID 102185872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).