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

C14H21NO — CID 134895764

IUPACN-[(1R)-2-methoxy-1-phenylethyl]-2-methylbutan-1-imine
SMILESCCC(C)/C=N/[C@@H](COC)c1ccccc1
InChIInChI=1S/C14H21NO/c1-4-12(2)10-15-14(11-16-3)13-8-6-5-7-9-13/h5-10,12,14H,4,11H2,1-3H3/b15-10+/t12?,14-/m0/s1
InChIKeyZCBFUYKCPBONIV-XSIIDAFSSA-N
MW219.33 g/mol
LogP3.49
Rot. Bonds6

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

N-[(1R)-2-methoxy-1-phenylethyl]-2-methylbutan-1-imine (PubChem CID 134895764) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(1R)-2-methoxy-1-phenylethyl]-2-methylbutan-1-imine.

Molecular Properties

Compound NameN-[(1R)-2-methoxy-1-phenylethyl]-2-methylbutan-1-imine
PubChem CID134895764
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[(1R)-2-methoxy-1-phenylethyl]-2-methylbutan-1-imine
SMILESCCC(C)/C=N/[C@@H](COC)c1ccccc1
InChIInChI=1S/C14H21NO/c1-4-12(2)10-15-14(11-16-3)13-8-6-5-7-9-13/h5-10,12,14H,4,11H2,1-3H3/b15-10+/t12?,14-/m0/s1
InChIKeyZCBFUYKCPBONIV-XSIIDAFSSA-N
XLogP3.49
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.49
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-methylbutan-1-imine?
The IUPAC name of N-[(1R)-2-methoxy-1-phenylethyl]-2-methylbutan-1-imine (CID 134895764) is N-[(1R)-2-methoxy-1-phenylethyl]-2-methylbutan-1-imine.
What is the SMILES notation for N-[(1R)-2-methoxy-1-phenylethyl]-2-methylbutan-1-imine?
The canonical SMILES for N-[(1R)-2-methoxy-1-phenylethyl]-2-methylbutan-1-imine is CCC(C)/C=N/[C@@H](COC)c1ccccc1.
What is the InChIKey of N-[(1R)-2-methoxy-1-phenylethyl]-2-methylbutan-1-imine?
The InChIKey is ZCBFUYKCPBONIV-XSIIDAFSSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-12(2)10-15-14(11-16-3)13-8-6-5-7-9-13/h5-10,12,14H,4,11H2,1-3H3/b15-10+/t12?,14-/m0/s1.
What are the key properties of N-[(1R)-2-methoxy-1-phenylethyl]-2-methylbutan-1-imine?
N-[(1R)-2-methoxy-1-phenylethyl]-2-methylbutan-1-imine has a molecular weight of 219.33 g/mol, XLogP of 3.49, 6 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-methylbutan-1-imine is sourced from PubChem (CID 134895764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).