2-methyl-N-[(1R)-1-phenylethyl]oxan-3-imine

C14H19NO — CID 10889351

IUPAC2-methyl-N-[(1R)-1-phenylethyl]oxan-3-imine
SMILESCC1OCCC/C1=N\[C@H](C)c1ccccc1
InChIInChI=1S/C14H19NO/c1-11(13-7-4-3-5-8-13)15-14-9-6-10-16-12(14)2/h3-5,7-8,11-12H,6,9-10H2,1-2H3/b15-14+/t11-,12?/m1/s1
InChIKeyGMOCCZGKFGGGFB-AWSFJMCFSA-N
MW217.31 g/mol
LogP3.39
Rot. Bonds2

About 2-methyl-N-[(1R)-1-phenylethyl]oxan-3-imine

2-methyl-N-[(1R)-1-phenylethyl]oxan-3-imine (PubChem CID 10889351) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-1-phenylethyl]oxan-3-imine.

Molecular Properties

Compound Name2-methyl-N-[(1R)-1-phenylethyl]oxan-3-imine
PubChem CID10889351
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-methyl-N-[(1R)-1-phenylethyl]oxan-3-imine
SMILESCC1OCCC/C1=N\[C@H](C)c1ccccc1
InChIInChI=1S/C14H19NO/c1-11(13-7-4-3-5-8-13)15-14-9-6-10-16-12(14)2/h3-5,7-8,11-12H,6,9-10H2,1-2H3/b15-14+/t11-,12?/m1/s1
InChIKeyGMOCCZGKFGGGFB-AWSFJMCFSA-N
XLogP3.39
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.39
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

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(1E)-N-[(1R)-2-Methoxy-1-phenylethyl]butan-1-imine
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-1-phenylethyl]oxan-3-imine?
The IUPAC name of 2-methyl-N-[(1R)-1-phenylethyl]oxan-3-imine (CID 10889351) is 2-methyl-N-[(1R)-1-phenylethyl]oxan-3-imine.
What is the SMILES notation for 2-methyl-N-[(1R)-1-phenylethyl]oxan-3-imine?
The canonical SMILES for 2-methyl-N-[(1R)-1-phenylethyl]oxan-3-imine is CC1OCCC/C1=N\[C@H](C)c1ccccc1.
What is the InChIKey of 2-methyl-N-[(1R)-1-phenylethyl]oxan-3-imine?
The InChIKey is GMOCCZGKFGGGFB-AWSFJMCFSA-N. The full InChI is InChI=1S/C14H19NO/c1-11(13-7-4-3-5-8-13)15-14-9-6-10-16-12(14)2/h3-5,7-8,11-12H,6,9-10H2,1-2H3/b15-14+/t11-,12?/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-1-phenylethyl]oxan-3-imine?
2-methyl-N-[(1R)-1-phenylethyl]oxan-3-imine has a molecular weight of 217.31 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-1-phenylethyl]oxan-3-imine is sourced from PubChem (CID 10889351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).