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

C13H19NO2 — CID 134871033

IUPAC(2R)-2-(2-methoxypropan-2-yloxy)-N-methyl-2-phenylethanimine
SMILESC/N=C/[C@H](OC(C)(C)OC)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-13(2,15-4)16-12(10-14-3)11-8-6-5-7-9-11/h5-10,12H,1-4H3/b14-10+/t12-/m0/s1
InChIKeyUUFHQBDOIKEXFV-LQELWAHVSA-N
MW221.30 g/mol
LogP2.83
Rot. Bonds5

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

(2R)-2-(2-methoxypropan-2-yloxy)-N-methyl-2-phenylethanimine (PubChem CID 134871033) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (2R)-2-(2-methoxypropan-2-yloxy)-N-methyl-2-phenylethanimine.

Molecular Properties

Compound Name(2R)-2-(2-methoxypropan-2-yloxy)-N-methyl-2-phenylethanimine
PubChem CID134871033
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(2R)-2-(2-methoxypropan-2-yloxy)-N-methyl-2-phenylethanimine
SMILESC/N=C/[C@H](OC(C)(C)OC)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-13(2,15-4)16-12(10-14-3)11-8-6-5-7-9-11/h5-10,12H,1-4H3/b14-10+/t12-/m0/s1
InChIKeyUUFHQBDOIKEXFV-LQELWAHVSA-N
XLogP2.83
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
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

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benzyl N-ethylidenecarbamate
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5-(Phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole
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benzyl (4R)-2,2-dimethyl-1,3-dioxolane-4-carboximidate
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CID 6518409
[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-pentan-2-ylethanimidate
CID 123703017
[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-propan-2-ylethanimidate
CID 123721990
N-[(2S)-2-(4-fluorobut-3-en-2-yloxy)-2-(2-fluorophenyl)ethylidene]hydroxylamine
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CID 10912415

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methoxypropan-2-yloxy)-N-methyl-2-phenylethanimine?
The IUPAC name of (2R)-2-(2-methoxypropan-2-yloxy)-N-methyl-2-phenylethanimine (CID 134871033) is (2R)-2-(2-methoxypropan-2-yloxy)-N-methyl-2-phenylethanimine.
What is the SMILES notation for (2R)-2-(2-methoxypropan-2-yloxy)-N-methyl-2-phenylethanimine?
The canonical SMILES for (2R)-2-(2-methoxypropan-2-yloxy)-N-methyl-2-phenylethanimine is C/N=C/[C@H](OC(C)(C)OC)c1ccccc1.
What is the InChIKey of (2R)-2-(2-methoxypropan-2-yloxy)-N-methyl-2-phenylethanimine?
The InChIKey is UUFHQBDOIKEXFV-LQELWAHVSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(2,15-4)16-12(10-14-3)11-8-6-5-7-9-11/h5-10,12H,1-4H3/b14-10+/t12-/m0/s1.
What are the key properties of (2R)-2-(2-methoxypropan-2-yloxy)-N-methyl-2-phenylethanimine?
(2R)-2-(2-methoxypropan-2-yloxy)-N-methyl-2-phenylethanimine has a molecular weight of 221.30 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methoxypropan-2-yloxy)-N-methyl-2-phenylethanimine is sourced from PubChem (CID 134871033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).