N-[(1S,2R)-2-methoxy-1,2-diphenylethyl]-1-phenylmethanimine

C22H21NO — CID 11313079

IUPACN-[(1S,2R)-2-methoxy-1,2-diphenylethyl]-1-phenylmethanimine
SMILESCO[C@H](c1ccccc1)[C@@H](/N=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO/c1-24-22(20-15-9-4-10-16-20)21(19-13-7-3-8-14-19)23-17-18-11-5-2-6-12-18/h2-17,21-22H,1H3/b23-17+/t21-,22+/m0/s1
InChIKeyOGYPUXOVHMIORT-CPXKFIDQSA-N
MW315.42 g/mol
LogP5.23
Rot. Bonds6

About N-[(1S,2R)-2-methoxy-1,2-diphenylethyl]-1-phenylmethanimine

N-[(1S,2R)-2-methoxy-1,2-diphenylethyl]-1-phenylmethanimine (PubChem CID 11313079) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(1S,2R)-2-methoxy-1,2-diphenylethyl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[(1S,2R)-2-methoxy-1,2-diphenylethyl]-1-phenylmethanimine
PubChem CID11313079
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC NameN-[(1S,2R)-2-methoxy-1,2-diphenylethyl]-1-phenylmethanimine
SMILESCO[C@H](c1ccccc1)[C@@H](/N=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO/c1-24-22(20-15-9-4-10-16-20)21(19-13-7-3-8-14-19)23-17-18-11-5-2-6-12-18/h2-17,21-22H,1H3/b23-17+/t21-,22+/m0/s1
InChIKeyOGYPUXOVHMIORT-CPXKFIDQSA-N
XLogP5.23
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R,5S,4'R,5'S)-2,2'-Methylenebis(4,5-diphenyl-2-oxazoline)
CID 2818124
2,4-Diphenyl-1,3-oxazoline
CID 10889524
2-(2,6-Difluorophenyl)-4-(4-octylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007761
2-(2,6-Difluorophenyl)-4-(4-n-decylphenyl)-2-oxazoline
CID 15007772
2-(2,6-Difluorophenyl)-4-(4-ethylphenyl)-4,5-dihydro-1,3-oxazole
CID 76334202
(4R,4'R,5S,5'S)-2,2'-(1-Methylethylidene)bis(4,5-dihydro-4,5-diphenyloxazole)
CID 15358971
2-(3-Methylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 9547842
(5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 10911168
(4S)-4-benzyl-2-(3-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 17756895
2-(2,6-Difluorophenyl)-4-(4-hexylphenyl)-4,5-dihydro-1,3-oxazole
CID 14853231
2-(2,6-Difluorophenyl)-4-(4-dodecylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007777
2-(2,6-Difluorophenyl)-4-(4-pentadecylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007780

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-methoxy-1,2-diphenylethyl]-1-phenylmethanimine?
The IUPAC name of N-[(1S,2R)-2-methoxy-1,2-diphenylethyl]-1-phenylmethanimine (CID 11313079) is N-[(1S,2R)-2-methoxy-1,2-diphenylethyl]-1-phenylmethanimine.
What is the SMILES notation for N-[(1S,2R)-2-methoxy-1,2-diphenylethyl]-1-phenylmethanimine?
The canonical SMILES for N-[(1S,2R)-2-methoxy-1,2-diphenylethyl]-1-phenylmethanimine is CO[C@H](c1ccccc1)[C@@H](/N=C/c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S,2R)-2-methoxy-1,2-diphenylethyl]-1-phenylmethanimine?
The InChIKey is OGYPUXOVHMIORT-CPXKFIDQSA-N. The full InChI is InChI=1S/C22H21NO/c1-24-22(20-15-9-4-10-16-20)21(19-13-7-3-8-14-19)23-17-18-11-5-2-6-12-18/h2-17,21-22H,1H3/b23-17+/t21-,22+/m0/s1.
What are the key properties of N-[(1S,2R)-2-methoxy-1,2-diphenylethyl]-1-phenylmethanimine?
N-[(1S,2R)-2-methoxy-1,2-diphenylethyl]-1-phenylmethanimine has a molecular weight of 315.42 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-methoxy-1,2-diphenylethyl]-1-phenylmethanimine is sourced from PubChem (CID 11313079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).