2-[(2S)-oxan-2-yl]oxy-N-phenylmethoxyethanimine

C14H19NO3 — CID 134863091

IUPAC2-[(2S)-oxan-2-yl]oxy-N-phenylmethoxyethanimine
SMILESC(CO[C@H]1CCCCO1)=NOCc1ccccc1
InChIInChI=1S/C14H19NO3/c1-2-6-13(7-3-1)12-18-15-9-11-17-14-8-4-5-10-16-14/h1-3,6-7,9,14H,4-5,8,10-12H2/t14-/m0/s1
InChIKeyFRJAWQJYIXDJPZ-AWEZNQCLSA-N
MW249.31 g/mol
LogP2.73
Rot. Bonds6

About 2-[(2S)-oxan-2-yl]oxy-N-phenylmethoxyethanimine

2-[(2S)-oxan-2-yl]oxy-N-phenylmethoxyethanimine (PubChem CID 134863091) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[(2S)-oxan-2-yl]oxy-N-phenylmethoxyethanimine.

Molecular Properties

Compound Name2-[(2S)-oxan-2-yl]oxy-N-phenylmethoxyethanimine
PubChem CID134863091
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[(2S)-oxan-2-yl]oxy-N-phenylmethoxyethanimine
SMILESC(CO[C@H]1CCCCO1)=NOCc1ccccc1
InChIInChI=1S/C14H19NO3/c1-2-6-13(7-3-1)12-18-15-9-11-17-14-8-4-5-10-16-14/h1-3,6-7,9,14H,4-5,8,10-12H2/t14-/m0/s1
InChIKeyFRJAWQJYIXDJPZ-AWEZNQCLSA-N
XLogP2.73
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S,6S)-2-(hydroxymethyl)-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol
CID 134852940
(3S,6R)-2-methyl-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol
CID 134852941
(3S,6R)-2-(hydroxymethyl)-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol
CID 134852942
(3R,6S)-2-(hydroxymethyl)-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol
CID 134852943
(3R,6R)-2-(hydroxymethyl)-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol
CID 134852944
(3S,6S)-2-methyl-6-(2-phenylmethoxyiminoethoxy)oxane-3,4,5-triol
CID 134852945
(4R,6R)-6-butoxy-2-oxido-4-phenylmethoxy-5,6-dihydro-4H-oxazin-2-ium
CID 134876798
N-methyl-N-[(E)-[(2S,4S)-4-phenylmethoxy-1,3-dioxan-2-yl]methylideneamino]methanamine
CID 134883782
6-Phenylmethoxy-7a-(trifluoromethyl)-3a,4,5,6-tetrahydropyrano[3,2-d][1,2]oxazole
CID 15396777
2-(Benzyloxymethoxy)propanal oxime
CID 9602252
(E)-2-butoxy-N-phenylmethoxyethanimine
CID 88236214
N-[[2-[2-(oxan-2-yloxy)ethyl]phenyl]methylidene]hydroxylamine
CID 88277359

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-oxan-2-yl]oxy-N-phenylmethoxyethanimine?
The IUPAC name of 2-[(2S)-oxan-2-yl]oxy-N-phenylmethoxyethanimine (CID 134863091) is 2-[(2S)-oxan-2-yl]oxy-N-phenylmethoxyethanimine.
What is the SMILES notation for 2-[(2S)-oxan-2-yl]oxy-N-phenylmethoxyethanimine?
The canonical SMILES for 2-[(2S)-oxan-2-yl]oxy-N-phenylmethoxyethanimine is C(CO[C@H]1CCCCO1)=NOCc1ccccc1.
What is the InChIKey of 2-[(2S)-oxan-2-yl]oxy-N-phenylmethoxyethanimine?
The InChIKey is FRJAWQJYIXDJPZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-6-13(7-3-1)12-18-15-9-11-17-14-8-4-5-10-16-14/h1-3,6-7,9,14H,4-5,8,10-12H2/t14-/m0/s1.
What are the key properties of 2-[(2S)-oxan-2-yl]oxy-N-phenylmethoxyethanimine?
2-[(2S)-oxan-2-yl]oxy-N-phenylmethoxyethanimine has a molecular weight of 249.31 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-oxan-2-yl]oxy-N-phenylmethoxyethanimine is sourced from PubChem (CID 134863091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).