N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-phenylpropan-1-imine

C19H23NO — CID 12696672

IUPACN-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-phenylpropan-1-imine
SMILESCC/C(=N\[C@H](COC)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO/c1-3-19(17-12-8-5-9-13-17)20-18(15-21-2)14-16-10-6-4-7-11-16/h4-13,18H,3,14-15H2,1-2H3/b20-19+/t18-/m0/s1
InChIKeyLAAPPVQUIWQCCB-NQKFGRBQSA-N
MW281.40 g/mol
LogP4.14
Rot. Bonds7

About N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-phenylpropan-1-imine

N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-phenylpropan-1-imine (PubChem CID 12696672) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-phenylpropan-1-imine.

Molecular Properties

Compound NameN-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-phenylpropan-1-imine
PubChem CID12696672
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-phenylpropan-1-imine
SMILESCC/C(=N\[C@H](COC)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO/c1-3-19(17-12-8-5-9-13-17)20-18(15-21-2)14-16-10-6-4-7-11-16/h4-13,18H,3,14-15H2,1-2H3/b20-19+/t18-/m0/s1
InChIKeyLAAPPVQUIWQCCB-NQKFGRBQSA-N
XLogP4.14
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.14
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

(S,S)-4,4'-Dibenzyl-2,2'-bi(2-oxazoline)
CID 697622
AG-H-02521
CID 5325154
(S,S)-2,2'-Methylenebis(4-phenyl-2-oxazoline)
CID 736684
(+)-2,2'-Isopropylidenebis[(4R)-4-benzyl-2-oxazoline]
CID 10981320
(4S,4'S)-2,2'-(Pentane-3,3'-diyl)bis(4-benzyl-4,5-dihydrooxazole)
CID 10960121
2-((p-Fluorobenzylidene)amino)-3-phenyl-1-propanol
CID 208995
2-((p-Methylbenzylidene)amino)-3-phenyl-1-propanol
CID 208997
(4S)-4-benzyl-2-[(E)-2-(4-fluorophenyl)ethenyl]-4,5-dihydro-1,3-oxazole
CID 102142826
(4S)-4-benzyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
CID 102142832
Pyrazine, 2,5-dihydro-3,6-dimethoxy-2-(1-methylethyl)-5-[(2,4,5-trifluorophenyl)methyl]-, (2S,5R)-
CID 11290377
(2S)-3,6-dimethoxy-2-propan-2-yl-5-[(2,4,5-trifluorophenyl)methyl]-2,5-dihydropyrazine
CID 89867549
rel-(R,S)-4,4'-DiBenzyl-4,4',5,5'-tetrahydro-2,2'-bioxazole
CID 697917

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-phenylpropan-1-imine?
The IUPAC name of N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-phenylpropan-1-imine (CID 12696672) is N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-phenylpropan-1-imine.
What is the SMILES notation for N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-phenylpropan-1-imine?
The canonical SMILES for N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-phenylpropan-1-imine is CC/C(=N\[C@H](COC)Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-phenylpropan-1-imine?
The InChIKey is LAAPPVQUIWQCCB-NQKFGRBQSA-N. The full InChI is InChI=1S/C19H23NO/c1-3-19(17-12-8-5-9-13-17)20-18(15-21-2)14-16-10-6-4-7-11-16/h4-13,18H,3,14-15H2,1-2H3/b20-19+/t18-/m0/s1.
What are the key properties of N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-phenylpropan-1-imine?
N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-phenylpropan-1-imine has a molecular weight of 281.40 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-phenylpropan-1-imine is sourced from PubChem (CID 12696672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).