(2R)-N-benzyl-2-(2-methoxypropan-2-yloxy)-2-phenylethanimine

C19H23NO2 — CID 134870991

IUPAC(2R)-N-benzyl-2-(2-methoxypropan-2-yloxy)-2-phenylethanimine
SMILESCOC(C)(C)O[C@@H](/C=N/Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO2/c1-19(2,21-3)22-18(17-12-8-5-9-13-17)15-20-14-16-10-6-4-7-11-16/h4-13,15,18H,14H2,1-3H3/b20-15+/t18-/m0/s1
InChIKeyLUQQBKYUGUUQRJ-XTFSCAMASA-N
MW297.40 g/mol
LogP4.40
Rot. Bonds7

About (2R)-N-benzyl-2-(2-methoxypropan-2-yloxy)-2-phenylethanimine

(2R)-N-benzyl-2-(2-methoxypropan-2-yloxy)-2-phenylethanimine (PubChem CID 134870991) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (2R)-N-benzyl-2-(2-methoxypropan-2-yloxy)-2-phenylethanimine.

Molecular Properties

Compound Name(2R)-N-benzyl-2-(2-methoxypropan-2-yloxy)-2-phenylethanimine
PubChem CID134870991
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(2R)-N-benzyl-2-(2-methoxypropan-2-yloxy)-2-phenylethanimine
SMILESCOC(C)(C)O[C@@H](/C=N/Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO2/c1-19(2,21-3)22-18(17-12-8-5-9-13-17)15-20-14-16-10-6-4-7-11-16/h4-13,15,18H,14H2,1-3H3/b20-15+/t18-/m0/s1
InChIKeyLUQQBKYUGUUQRJ-XTFSCAMASA-N
XLogP4.40
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

N-Benzyl(ethoxy)phenylethanimidamide
CID 47199
2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-3,6-dihydro-2H-1,4-oxazine
CID 154699761
2-Methyl-4,5-diphenyl-4,5-dihydrooxazole
CID 583045
N-benzyl-2-phenylmethoxyethanimine oxide
CID 11832006
(2S)-N-benzyl-2-phenylmethoxypropan-1-imine oxide
CID 2753974
Mveveebnmblbjg-pmacekpbsa-
CID 10860732
(2S)-N-(2,3-Dibenzyloxypropylidene)benzylamine
CID 10959323
(4R,5S)-2-methyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 12643448
(4S,5R)-2-tert-butyl-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 164668216
butyl [3-(2-fluorophenyl)-5H-2-benzazepin-5-yl] carbonate
CID 70555271
6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-5-(4-fluorophenyl)-2H-1,4-oxazine
CID 88115048
6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-5-(4-fluorophenyl)-2H-1,4-oxazine
CID 88184979

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-(2-methoxypropan-2-yloxy)-2-phenylethanimine?
The IUPAC name of (2R)-N-benzyl-2-(2-methoxypropan-2-yloxy)-2-phenylethanimine (CID 134870991) is (2R)-N-benzyl-2-(2-methoxypropan-2-yloxy)-2-phenylethanimine.
What is the SMILES notation for (2R)-N-benzyl-2-(2-methoxypropan-2-yloxy)-2-phenylethanimine?
The canonical SMILES for (2R)-N-benzyl-2-(2-methoxypropan-2-yloxy)-2-phenylethanimine is COC(C)(C)O[C@@H](/C=N/Cc1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-N-benzyl-2-(2-methoxypropan-2-yloxy)-2-phenylethanimine?
The InChIKey is LUQQBKYUGUUQRJ-XTFSCAMASA-N. The full InChI is InChI=1S/C19H23NO2/c1-19(2,21-3)22-18(17-12-8-5-9-13-17)15-20-14-16-10-6-4-7-11-16/h4-13,15,18H,14H2,1-3H3/b20-15+/t18-/m0/s1.
What are the key properties of (2R)-N-benzyl-2-(2-methoxypropan-2-yloxy)-2-phenylethanimine?
(2R)-N-benzyl-2-(2-methoxypropan-2-yloxy)-2-phenylethanimine has a molecular weight of 297.40 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-(2-methoxypropan-2-yloxy)-2-phenylethanimine is sourced from PubChem (CID 134870991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).