(2S)-2,3-bis(phenylmethoxy)-N-prop-2-enylpropan-1-imine

C20H23NO2 — CID 155933101

IUPAC(2S)-2,3-bis(phenylmethoxy)-N-prop-2-enylpropan-1-imine
SMILESC=CC/N=C/[C@@H](COCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C20H23NO2/c1-2-13-21-14-20(23-16-19-11-7-4-8-12-19)17-22-15-18-9-5-3-6-10-18/h2-12,14,20H,1,13,15-17H2/b21-14+/t20-/m0/s1
InChIKeyQQXUAFXKIOQGFJ-LQOIVRHRSA-N
MW309.41 g/mol
LogP4.05
Rot. Bonds10

About (2S)-2,3-bis(phenylmethoxy)-N-prop-2-enylpropan-1-imine

(2S)-2,3-bis(phenylmethoxy)-N-prop-2-enylpropan-1-imine (PubChem CID 155933101) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (2S)-2,3-bis(phenylmethoxy)-N-prop-2-enylpropan-1-imine.

Molecular Properties

Compound Name(2S)-2,3-bis(phenylmethoxy)-N-prop-2-enylpropan-1-imine
PubChem CID155933101
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(2S)-2,3-bis(phenylmethoxy)-N-prop-2-enylpropan-1-imine
SMILESC=CC/N=C/[C@@H](COCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C20H23NO2/c1-2-13-21-14-20(23-16-19-11-7-4-8-12-19)17-22-15-18-9-5-3-6-10-18/h2-12,14,20H,1,13,15-17H2/b21-14+/t20-/m0/s1
InChIKeyQQXUAFXKIOQGFJ-LQOIVRHRSA-N
XLogP4.05
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Ethylamine, 2-(diphenylmethoxy)-N-(ethoxymethylene)-
CID 58344
N-benzyl-2-phenylmethoxyethanimine oxide
CID 11832006
(2S)-N-benzyl-2-phenylmethoxypropan-1-imine oxide
CID 2753974
Mveveebnmblbjg-pmacekpbsa-
CID 10860732
(3S)-1-oxido-3-phenylmethoxy-2,3,4,5-tetrahydropyridin-1-ium
CID 11333200
(2S)-N-(2,3-Dibenzyloxypropylidene)benzylamine
CID 10959323
(3S,4S)-1-oxido-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyrrol-1-ium
CID 11208717
(NE)-N-[2-[(2S)-1-trityloxybut-3-en-2-yl]oxyethylidene]hydroxylamine
CID 57827498
5-(Phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole
CID 69091741
3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyrrole
CID 69407146
(3R,4R)-1-oxido-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyrrol-1-ium
CID 135019297
(Z,2R,3R)-N-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentoxy]-2,4-dimethyl-3-phenylmethoxypentan-1-imine
CID 6518340

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-bis(phenylmethoxy)-N-prop-2-enylpropan-1-imine?
The IUPAC name of (2S)-2,3-bis(phenylmethoxy)-N-prop-2-enylpropan-1-imine (CID 155933101) is (2S)-2,3-bis(phenylmethoxy)-N-prop-2-enylpropan-1-imine.
What is the SMILES notation for (2S)-2,3-bis(phenylmethoxy)-N-prop-2-enylpropan-1-imine?
The canonical SMILES for (2S)-2,3-bis(phenylmethoxy)-N-prop-2-enylpropan-1-imine is C=CC/N=C/[C@@H](COCc1ccccc1)OCc1ccccc1.
What is the InChIKey of (2S)-2,3-bis(phenylmethoxy)-N-prop-2-enylpropan-1-imine?
The InChIKey is QQXUAFXKIOQGFJ-LQOIVRHRSA-N. The full InChI is InChI=1S/C20H23NO2/c1-2-13-21-14-20(23-16-19-11-7-4-8-12-19)17-22-15-18-9-5-3-6-10-18/h2-12,14,20H,1,13,15-17H2/b21-14+/t20-/m0/s1.
What are the key properties of (2S)-2,3-bis(phenylmethoxy)-N-prop-2-enylpropan-1-imine?
(2S)-2,3-bis(phenylmethoxy)-N-prop-2-enylpropan-1-imine has a molecular weight of 309.41 g/mol, XLogP of 4.05, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-bis(phenylmethoxy)-N-prop-2-enylpropan-1-imine is sourced from PubChem (CID 155933101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).