(Z)-benzyl-hydroxy-[(2S)-2-phenylmethoxypropylidene]azanium

C17H20NO2+ — CID 134831431

IUPAC(Z)-benzyl-hydroxy-[(2S)-2-phenylmethoxypropylidene]azanium
SMILESC[C@@H](/C=[N+](\O)Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H20NO2/c1-15(20-14-17-10-6-3-7-11-17)12-18(19)13-16-8-4-2-5-9-16/h2-12,15,19H,13-14H2,1H3/q+1/b18-12-/t15-/m0/s1
InChIKeyHYHZTGIZGNAALI-BRYHAGSVSA-N
MW270.35 g/mol
LogP3.26
Rot. Bonds6

About (Z)-benzyl-hydroxy-[(2S)-2-phenylmethoxypropylidene]azanium

(Z)-benzyl-hydroxy-[(2S)-2-phenylmethoxypropylidene]azanium (PubChem CID 134831431) has the molecular formula C17H20NO2+ and a molecular weight of 270.35 g/mol. Its IUPAC name is (Z)-benzyl-hydroxy-[(2S)-2-phenylmethoxypropylidene]azanium.

Molecular Properties

Compound Name(Z)-benzyl-hydroxy-[(2S)-2-phenylmethoxypropylidene]azanium
PubChem CID134831431
Molecular FormulaC17H20NO2+
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name(Z)-benzyl-hydroxy-[(2S)-2-phenylmethoxypropylidene]azanium
SMILESC[C@@H](/C=[N+](\O)Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H20NO2/c1-15(20-14-17-10-6-3-7-11-17)12-18(19)13-16-8-4-2-5-9-16/h2-12,15,19H,13-14H2,1H3/q+1/b18-12-/t15-/m0/s1
InChIKeyHYHZTGIZGNAALI-BRYHAGSVSA-N
XLogP3.26
TPSA32.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-phenylmethoxyethanimine oxide
CID 11832006
Benzyl(2-(benzyloxy)-1-phenylethyl)azane oxide
CID 6285465
(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
2-Phenyl-3-oxazoline
CID 15031923
(3R,4R)-1-oxido-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyrrol-1-ium
CID 135019297
1-phenyl-N-[(1S)-1-phenyl-2-phenylmethoxyethyl]methanimine oxide
CID 5466985
(Z,2R,3R)-N-[(2R,3R)-2,4-dimethyl-3-phenylmethoxypentoxy]-2,4-dimethyl-3-phenylmethoxypentan-1-imine
CID 6518340
(E,2R)-3,3-difluoro-N,2-bis(phenylmethoxy)butan-1-imine
CID 15038957

Frequently Asked Questions

What is the IUPAC name of (Z)-benzyl-hydroxy-[(2S)-2-phenylmethoxypropylidene]azanium?
The IUPAC name of (Z)-benzyl-hydroxy-[(2S)-2-phenylmethoxypropylidene]azanium (CID 134831431) is (Z)-benzyl-hydroxy-[(2S)-2-phenylmethoxypropylidene]azanium.
What is the SMILES notation for (Z)-benzyl-hydroxy-[(2S)-2-phenylmethoxypropylidene]azanium?
The canonical SMILES for (Z)-benzyl-hydroxy-[(2S)-2-phenylmethoxypropylidene]azanium is C[C@@H](/C=[N+](\O)Cc1ccccc1)OCc1ccccc1.
What is the InChIKey of (Z)-benzyl-hydroxy-[(2S)-2-phenylmethoxypropylidene]azanium?
The InChIKey is HYHZTGIZGNAALI-BRYHAGSVSA-N. The full InChI is InChI=1S/C17H20NO2/c1-15(20-14-17-10-6-3-7-11-17)12-18(19)13-16-8-4-2-5-9-16/h2-12,15,19H,13-14H2,1H3/q+1/b18-12-/t15-/m0/s1.
What are the key properties of (Z)-benzyl-hydroxy-[(2S)-2-phenylmethoxypropylidene]azanium?
(Z)-benzyl-hydroxy-[(2S)-2-phenylmethoxypropylidene]azanium has a molecular weight of 270.35 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-benzyl-hydroxy-[(2S)-2-phenylmethoxypropylidene]azanium is sourced from PubChem (CID 134831431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).