(2R)-2-(2-methoxypropan-2-yloxy)-2-phenylethanimine

C12H17NO2 — CID 134892247

IUPAC(2R)-2-(2-methoxypropan-2-yloxy)-2-phenylethanimine
SMILES[H]/N=C/[C@H](OC(C)(C)OC)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-12(2,14-3)15-11(9-13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3/b13-9+/t11-/m0/s1
InChIKeyLERLJJPXMUEOEM-GJSJWPQCSA-N
MW207.27 g/mol
LogP2.78
Rot. Bonds5

About (2R)-2-(2-methoxypropan-2-yloxy)-2-phenylethanimine

(2R)-2-(2-methoxypropan-2-yloxy)-2-phenylethanimine (PubChem CID 134892247) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (2R)-2-(2-methoxypropan-2-yloxy)-2-phenylethanimine.

Molecular Properties

Compound Name(2R)-2-(2-methoxypropan-2-yloxy)-2-phenylethanimine
PubChem CID134892247
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(2R)-2-(2-methoxypropan-2-yloxy)-2-phenylethanimine
SMILES[H]/N=C/[C@H](OC(C)(C)OC)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-12(2,14-3)15-11(9-13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3/b13-9+/t11-/m0/s1
InChIKeyLERLJJPXMUEOEM-GJSJWPQCSA-N
XLogP2.78
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

trans-3-(2-Ethyl-2-phenyl-1,3-dioxan-4-yl)propan-1-amine
CID 53304662
Benzyloxybutanimine
CID 19900258
N-phenylethoxymethylene imine
CID 20653459
5-(Phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole
CID 69091741
benzyl (4R)-2,2-dimethyl-1,3-dioxolane-4-carboximidate
CID 375641
(Z,2R,3R)-N-methoxy-2,4-dimethyl-3-phenylmethoxypentan-1-imine
CID 6518409
1-[1-Ethoxy-1-(4-fluorophenyl)ethoxy]ethanamine
CID 167276379
N-[(2S)-2-(4-fluorobut-3-en-2-yloxy)-2-(2-fluorophenyl)ethylidene]hydroxylamine
CID 173435371
CID 173697106
CID 173697106
(3R)-3-[[3-(trifluoromethyl)phenyl]methoxy]butan-1-imine
CID 174617355
2,2-Diethoxy-2-phenylethanamine
CID 12746638
(3S,6R)-3-methyl-6-phenyl-3,6-dihydro-2H-1,4-oxazine
CID 146675162

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methoxypropan-2-yloxy)-2-phenylethanimine?
The IUPAC name of (2R)-2-(2-methoxypropan-2-yloxy)-2-phenylethanimine (CID 134892247) is (2R)-2-(2-methoxypropan-2-yloxy)-2-phenylethanimine.
What is the SMILES notation for (2R)-2-(2-methoxypropan-2-yloxy)-2-phenylethanimine?
The canonical SMILES for (2R)-2-(2-methoxypropan-2-yloxy)-2-phenylethanimine is [H]/N=C/[C@H](OC(C)(C)OC)c1ccccc1.
What is the InChIKey of (2R)-2-(2-methoxypropan-2-yloxy)-2-phenylethanimine?
The InChIKey is LERLJJPXMUEOEM-GJSJWPQCSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(2,14-3)15-11(9-13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3/b13-9+/t11-/m0/s1.
What are the key properties of (2R)-2-(2-methoxypropan-2-yloxy)-2-phenylethanimine?
(2R)-2-(2-methoxypropan-2-yloxy)-2-phenylethanimine has a molecular weight of 207.27 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methoxypropan-2-yloxy)-2-phenylethanimine is sourced from PubChem (CID 134892247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).