(2-ethoxyphenyl)-[(2-ethoxyphenyl)hydrazinylidene]-(hydroxymethyl)azanium

C17H22N3O3+ — CID 91130370

IUPAC(2-ethoxyphenyl)-[(2-ethoxyphenyl)hydrazinylidene]-(hydroxymethyl)azanium
SMILESCCOc1ccccc1NN=[N+](CO)c1ccccc1OCC
InChIInChI=1S/C17H21N3O3/c1-3-22-16-11-7-5-9-14(16)18-19-20(13-21)15-10-6-8-12-17(15)23-4-2/h5-12,21H,3-4,13H2,1-2H3/p+1
InChIKeySZXSCBAYIFWPBL-UHFFFAOYSA-O
MW316.38 g/mol
LogP3.56
Rot. Bonds8

About (2-ethoxyphenyl)-[(2-ethoxyphenyl)hydrazinylidene]-(hydroxymethyl)azanium

(2-ethoxyphenyl)-[(2-ethoxyphenyl)hydrazinylidene]-(hydroxymethyl)azanium (PubChem CID 91130370) has the molecular formula C17H22N3O3+ and a molecular weight of 316.38 g/mol. Its IUPAC name is (2-ethoxyphenyl)-[(2-ethoxyphenyl)hydrazinylidene]-(hydroxymethyl)azanium.

Molecular Properties

Compound Name(2-ethoxyphenyl)-[(2-ethoxyphenyl)hydrazinylidene]-(hydroxymethyl)azanium
PubChem CID91130370
Molecular FormulaC17H22N3O3+
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name(2-ethoxyphenyl)-[(2-ethoxyphenyl)hydrazinylidene]-(hydroxymethyl)azanium
SMILESCCOc1ccccc1NN=[N+](CO)c1ccccc1OCC
InChIInChI=1S/C17H21N3O3/c1-3-22-16-11-7-5-9-14(16)18-19-20(13-21)15-10-6-8-12-17(15)23-4-2/h5-12,21H,3-4,13H2,1-2H3/p+1
InChIKeySZXSCBAYIFWPBL-UHFFFAOYSA-O
XLogP3.56
TPSA66.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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

2-ethoxy-N-[(2-ethoxyphenyl)diazenyl]aniline
CID 91159930
2-[4-(2-ethoxyanilino)anilino]phenol
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(2S)-2-(2-ethoxyanilino)propanoic acid
CID 40788292
methyl 3-(2-ethoxyanilino)-3-oxopropanoate
CID 28637956
N-[2-(2-ethoxyanilino)ethyl]acetamide
CID 103604124
N-(2-ethoxyphenyl)methanethioamide
CID 88853700
N-(1-cyclopropylpropan-2-yl)-2-ethoxyaniline
CID 115920665
4-(2-ethoxyanilino)-2-methylbutan-2-ol
CID 79359575
CID 174193763
CID 174193763
N-(2-ethoxyphenyl)methanesulfinothioamide
CID 146252232
2-ethoxy-N-(2-fluoroethyl)aniline
CID 80699443
2-ethoxy-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol
CID 4097319

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-[(2-ethoxyphenyl)hydrazinylidene]-(hydroxymethyl)azanium?
The IUPAC name of (2-ethoxyphenyl)-[(2-ethoxyphenyl)hydrazinylidene]-(hydroxymethyl)azanium (CID 91130370) is (2-ethoxyphenyl)-[(2-ethoxyphenyl)hydrazinylidene]-(hydroxymethyl)azanium.
What is the SMILES notation for (2-ethoxyphenyl)-[(2-ethoxyphenyl)hydrazinylidene]-(hydroxymethyl)azanium?
The canonical SMILES for (2-ethoxyphenyl)-[(2-ethoxyphenyl)hydrazinylidene]-(hydroxymethyl)azanium is CCOc1ccccc1NN=[N+](CO)c1ccccc1OCC.
What is the InChIKey of (2-ethoxyphenyl)-[(2-ethoxyphenyl)hydrazinylidene]-(hydroxymethyl)azanium?
The InChIKey is SZXSCBAYIFWPBL-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H21N3O3/c1-3-22-16-11-7-5-9-14(16)18-19-20(13-21)15-10-6-8-12-17(15)23-4-2/h5-12,21H,3-4,13H2,1-2H3/p+1.
What are the key properties of (2-ethoxyphenyl)-[(2-ethoxyphenyl)hydrazinylidene]-(hydroxymethyl)azanium?
(2-ethoxyphenyl)-[(2-ethoxyphenyl)hydrazinylidene]-(hydroxymethyl)azanium has a molecular weight of 316.38 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-[(2-ethoxyphenyl)hydrazinylidene]-(hydroxymethyl)azanium is sourced from PubChem (CID 91130370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).