N-[(1R)-2-methoxy-1-phenylethyl]-3-methylsulfanylpropan-1-imine

C13H19NOS — CID 15232059

IUPACN-[(1R)-2-methoxy-1-phenylethyl]-3-methylsulfanylpropan-1-imine
SMILESCOC[C@H](/N=C/CCSC)c1ccccc1
InChIInChI=1S/C13H19NOS/c1-15-11-13(14-9-6-10-16-2)12-7-4-3-5-8-12/h3-5,7-9,13H,6,10-11H2,1-2H3/b14-9+/t13-/m0/s1
InChIKeyDEHLXYLPIHNQJQ-FYQHACEVSA-N
MW237.37 g/mol
LogP3.20
Rot. Bonds7

About N-[(1R)-2-methoxy-1-phenylethyl]-3-methylsulfanylpropan-1-imine

N-[(1R)-2-methoxy-1-phenylethyl]-3-methylsulfanylpropan-1-imine (PubChem CID 15232059) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N-[(1R)-2-methoxy-1-phenylethyl]-3-methylsulfanylpropan-1-imine.

Molecular Properties

Compound NameN-[(1R)-2-methoxy-1-phenylethyl]-3-methylsulfanylpropan-1-imine
PubChem CID15232059
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN-[(1R)-2-methoxy-1-phenylethyl]-3-methylsulfanylpropan-1-imine
SMILESCOC[C@H](/N=C/CCSC)c1ccccc1
InChIInChI=1S/C13H19NOS/c1-15-11-13(14-9-6-10-16-2)12-7-4-3-5-8-12/h3-5,7-9,13H,6,10-11H2,1-2H3/b14-9+/t13-/m0/s1
InChIKeyDEHLXYLPIHNQJQ-FYQHACEVSA-N
XLogP3.20
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1R)-2-methoxy-1-phenylethyl]-3-methylsulfanylpropan-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-N-[(1R)-2-methoxy-1-phenylethyl]ethanimine
CID 11229989
(4R)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 10931742
Oxazole, 2-(1,1-dimethylethyl)-4,5-dihydro-4-phenyl-, (R)-
CID 11041847
(4S)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 15619834
(4S)-2-ethyl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 102475498
(R)-3-(3-fluoro-phenyl)-5-methylsulfanyl-3,6-dihydro-2H-[1,4]oxazine
CID 58200253
3-(3-fluorophenyl)-5-methylsulfanyl-3,6-dihydro-2H-1,4-oxazine
CID 67043371
2-Butyl-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole
CID 153378982
(4S)-4-(4-fluorophenyl)-2-methylsulfanyl-4,5-dihydro-1,3-oxazole
CID 166717705
(4S)-4-(2-fluorophenyl)-2-methylsulfanyl-4,5-dihydro-1,3-oxazole
CID 169797769
N-[(1R)-2-methoxy-1-phenylethyl]-2-methylpropan-1-imine
CID 10465557
(1E)-N-[(1R)-2-Methoxy-1-phenylethyl]butan-1-imine
CID 10845916

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methoxy-1-phenylethyl]-3-methylsulfanylpropan-1-imine?
The IUPAC name of N-[(1R)-2-methoxy-1-phenylethyl]-3-methylsulfanylpropan-1-imine (CID 15232059) is N-[(1R)-2-methoxy-1-phenylethyl]-3-methylsulfanylpropan-1-imine.
What is the SMILES notation for N-[(1R)-2-methoxy-1-phenylethyl]-3-methylsulfanylpropan-1-imine?
The canonical SMILES for N-[(1R)-2-methoxy-1-phenylethyl]-3-methylsulfanylpropan-1-imine is COC[C@H](/N=C/CCSC)c1ccccc1.
What is the InChIKey of N-[(1R)-2-methoxy-1-phenylethyl]-3-methylsulfanylpropan-1-imine?
The InChIKey is DEHLXYLPIHNQJQ-FYQHACEVSA-N. The full InChI is InChI=1S/C13H19NOS/c1-15-11-13(14-9-6-10-16-2)12-7-4-3-5-8-12/h3-5,7-9,13H,6,10-11H2,1-2H3/b14-9+/t13-/m0/s1.
What are the key properties of N-[(1R)-2-methoxy-1-phenylethyl]-3-methylsulfanylpropan-1-imine?
N-[(1R)-2-methoxy-1-phenylethyl]-3-methylsulfanylpropan-1-imine has a molecular weight of 237.37 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methoxy-1-phenylethyl]-3-methylsulfanylpropan-1-imine is sourced from PubChem (CID 15232059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).