N-[(1R)-2-methoxy-1-phenylethyl]-2-methylpropan-1-imine

C13H19NO — CID 10465557

IUPACN-[(1R)-2-methoxy-1-phenylethyl]-2-methylpropan-1-imine
SMILESCOC[C@H](/N=C/C(C)C)c1ccccc1
InChIInChI=1S/C13H19NO/c1-11(2)9-14-13(10-15-3)12-7-5-4-6-8-12/h4-9,11,13H,10H2,1-3H3/b14-9+/t13-/m0/s1
InChIKeyLHSFPTCWGSGYRW-FYQHACEVSA-N
MW205.30 g/mol
LogP3.10
Rot. Bonds5

About N-[(1R)-2-methoxy-1-phenylethyl]-2-methylpropan-1-imine

N-[(1R)-2-methoxy-1-phenylethyl]-2-methylpropan-1-imine (PubChem CID 10465557) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[(1R)-2-methoxy-1-phenylethyl]-2-methylpropan-1-imine.

Molecular Properties

Compound NameN-[(1R)-2-methoxy-1-phenylethyl]-2-methylpropan-1-imine
PubChem CID10465557
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-[(1R)-2-methoxy-1-phenylethyl]-2-methylpropan-1-imine
SMILESCOC[C@H](/N=C/C(C)C)c1ccccc1
InChIInChI=1S/C13H19NO/c1-11(2)9-14-13(10-15-3)12-7-5-4-6-8-12/h4-9,11,13H,10H2,1-3H3/b14-9+/t13-/m0/s1
InChIKeyLHSFPTCWGSGYRW-FYQHACEVSA-N
XLogP3.10
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.10
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)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)
CID 676388
Ph-box, (R,R)-
CID 676390
AG-H-02521
CID 5325154
(S,S)-2,2'-Methylenebis(4-phenyl-2-oxazoline)
CID 736684
(1R)-2-Methoxy-1-phenylethan-1-amine
CID 11019045
2-Methoxy-1-phenylethan-1-amine
CID 11105539
2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole)
CID 3957686
4-Benzyl-2-methyl-4,5-dihydro-1,3-oxazole
CID 4692621
2,2,2-trifluoro-N-[(1R)-2-methoxy-1-phenylethyl]ethanimine
CID 11229989
(4R)-4-phenyl-2-(4,4,4-trifluoro-3-methylbutyl)-4,5-dihydro-1,3-oxazole
CID 134858563
2,2,2-trifluoro-N-[(1S)-2-methoxy-1-phenylethyl]ethanimine oxide
CID 139191316
4-Phenyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole
CID 154720158

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methoxy-1-phenylethyl]-2-methylpropan-1-imine?
The IUPAC name of N-[(1R)-2-methoxy-1-phenylethyl]-2-methylpropan-1-imine (CID 10465557) is N-[(1R)-2-methoxy-1-phenylethyl]-2-methylpropan-1-imine.
What is the SMILES notation for N-[(1R)-2-methoxy-1-phenylethyl]-2-methylpropan-1-imine?
The canonical SMILES for N-[(1R)-2-methoxy-1-phenylethyl]-2-methylpropan-1-imine is COC[C@H](/N=C/C(C)C)c1ccccc1.
What is the InChIKey of N-[(1R)-2-methoxy-1-phenylethyl]-2-methylpropan-1-imine?
The InChIKey is LHSFPTCWGSGYRW-FYQHACEVSA-N. The full InChI is InChI=1S/C13H19NO/c1-11(2)9-14-13(10-15-3)12-7-5-4-6-8-12/h4-9,11,13H,10H2,1-3H3/b14-9+/t13-/m0/s1.
What are the key properties of N-[(1R)-2-methoxy-1-phenylethyl]-2-methylpropan-1-imine?
N-[(1R)-2-methoxy-1-phenylethyl]-2-methylpropan-1-imine has a molecular weight of 205.30 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methoxy-1-phenylethyl]-2-methylpropan-1-imine is sourced from PubChem (CID 10465557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).