1-phenyl-N-(2,2,2-triethoxy-1-phenylethyl)methanimine

C21H27NO3 — CID 10991474

IUPAC1-phenyl-N-(2,2,2-triethoxy-1-phenylethyl)methanimine
SMILESCCOC(OCC)(OCC)C(/N=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO3/c1-4-23-21(24-5-2,25-6-3)20(19-15-11-8-12-16-19)22-17-18-13-9-7-10-14-18/h7-17,20H,4-6H2,1-3H3/b22-17+
InChIKeyLOENASPJARPNMT-OQKWZONESA-N
MW341.45 g/mol
LogP4.61
Rot. Bonds10

About 1-phenyl-N-(2,2,2-triethoxy-1-phenylethyl)methanimine

1-phenyl-N-(2,2,2-triethoxy-1-phenylethyl)methanimine (PubChem CID 10991474) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 1-phenyl-N-(2,2,2-triethoxy-1-phenylethyl)methanimine.

Molecular Properties

Compound Name1-phenyl-N-(2,2,2-triethoxy-1-phenylethyl)methanimine
PubChem CID10991474
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name1-phenyl-N-(2,2,2-triethoxy-1-phenylethyl)methanimine
SMILESCCOC(OCC)(OCC)C(/N=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO3/c1-4-23-21(24-5-2,25-6-3)20(19-15-11-8-12-16-19)22-17-18-13-9-7-10-14-18/h7-17,20H,4-6H2,1-3H3/b22-17+
InChIKeyLOENASPJARPNMT-OQKWZONESA-N
XLogP4.61
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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Ph-box, (R,R)-
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CID 736684
2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole)
CID 3957686
(4S,4'S)-2,2'-(Cyclopropane-1,1-diyl)bis(4-phenyl-4,5-dihydrooxazole)
CID 10496806
(4S,5R)-5-methyl-2-[2-[(4S,5R)-5-methyl-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 10546604
(betaR)-beta-[(Phenylmethylene)amino]benzeneethanol
CID 10911227
Oxazole, 2-(1,1-dimethylethyl)-4,5-dihydro-4-phenyl-, (R)-
CID 11041847
(4S,4'S)-2,2'-(Pentane-3,3-diyl)bis(4-phenyl-4,5-dihydrooxazole)
CID 11365135
(4S,4'S)-4,4',5,5'-Tetrahydro-4,4'-diphenyl-2,2'-bioxazole
CID 15936784
(4S,4'S)-2,2'-Propylidenebis[4,5-dihydro-4-phenyloxazole]
CID 56982768
(r)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)
CID 57348696

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(2,2,2-triethoxy-1-phenylethyl)methanimine?
The IUPAC name of 1-phenyl-N-(2,2,2-triethoxy-1-phenylethyl)methanimine (CID 10991474) is 1-phenyl-N-(2,2,2-triethoxy-1-phenylethyl)methanimine.
What is the SMILES notation for 1-phenyl-N-(2,2,2-triethoxy-1-phenylethyl)methanimine?
The canonical SMILES for 1-phenyl-N-(2,2,2-triethoxy-1-phenylethyl)methanimine is CCOC(OCC)(OCC)C(/N=C/c1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-(2,2,2-triethoxy-1-phenylethyl)methanimine?
The InChIKey is LOENASPJARPNMT-OQKWZONESA-N. The full InChI is InChI=1S/C21H27NO3/c1-4-23-21(24-5-2,25-6-3)20(19-15-11-8-12-16-19)22-17-18-13-9-7-10-14-18/h7-17,20H,4-6H2,1-3H3/b22-17+.
What are the key properties of 1-phenyl-N-(2,2,2-triethoxy-1-phenylethyl)methanimine?
1-phenyl-N-(2,2,2-triethoxy-1-phenylethyl)methanimine has a molecular weight of 341.45 g/mol, XLogP of 4.61, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(2,2,2-triethoxy-1-phenylethyl)methanimine is sourced from PubChem (CID 10991474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).