2-[2-(4-hydroxyphenyl)ethylideneamino]guanidine;hydrochloride

C9H13ClN4O — CID 76547169

IUPAC2-[2-(4-hydroxyphenyl)ethylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=NN=CCc1ccc(O)cc1
InChIInChI=1S/C9H12N4O.ClH/c10-9(11)13-12-6-5-7-1-3-8(14)4-2-7;/h1-4,6,14H,5H2,(H4,10,11,13);1H
InChIKeyQALKLYFAJZVYMR-UHFFFAOYSA-N
MW228.68 g/mol
LogP0.62
Rot. Bonds3

About 2-[2-(4-hydroxyphenyl)ethylideneamino]guanidine;hydrochloride

2-[2-(4-hydroxyphenyl)ethylideneamino]guanidine;hydrochloride (PubChem CID 76547169) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is 2-[2-(4-hydroxyphenyl)ethylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[2-(4-hydroxyphenyl)ethylideneamino]guanidine;hydrochloride
PubChem CID76547169
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name2-[2-(4-hydroxyphenyl)ethylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=NN=CCc1ccc(O)cc1
InChIInChI=1S/C9H12N4O.ClH/c10-9(11)13-12-6-5-7-1-3-8(14)4-2-7;/h1-4,6,14H,5H2,(H4,10,11,13);1H
InChIKeyQALKLYFAJZVYMR-UHFFFAOYSA-N
XLogP0.62
TPSA96.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3,4-dihydroxyphenyl)ethylideneamino]guanidine
CID 58854562
2-[2-(4-nonylsulfanylphenyl)ethylideneamino]guanidine
CID 174190800
2-[2-(2,6-dichlorophenyl)ethylideneamino]guanidine
CID 140896130
2-(3-phenylpropylideneamino)guanidine
CID 5053229
2-[(E)-(4-ethylphenyl)methylideneamino]guanidine;hydrochloride
CID 87880634
2-(4-hydroxyphenyl)ethanethial
CID 54570188
nitric acid;1-[(E)-2-phenylethylideneamino]-2-[(Z)-2-phenylethylideneamino]guanidine
CID 51056890
4-[(E)-3-fluoroprop-2-enyl]phenol
CID 22256147
4-(4-phenylbut-2-enyl)phenol
CID 66608492
4-[(E)-4-phenylbut-2-enyl]phenol
CID 66608491
4-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methoxyimino]ethyl]phenol
CID 177409244
2-[(4-hydroxyphenyl)methylamino]acetamide
CID 16775960

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxyphenyl)ethylideneamino]guanidine;hydrochloride?
The IUPAC name of 2-[2-(4-hydroxyphenyl)ethylideneamino]guanidine;hydrochloride (CID 76547169) is 2-[2-(4-hydroxyphenyl)ethylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 2-[2-(4-hydroxyphenyl)ethylideneamino]guanidine;hydrochloride?
The canonical SMILES for 2-[2-(4-hydroxyphenyl)ethylideneamino]guanidine;hydrochloride is Cl.NC(N)=NN=CCc1ccc(O)cc1.
What is the InChIKey of 2-[2-(4-hydroxyphenyl)ethylideneamino]guanidine;hydrochloride?
The InChIKey is QALKLYFAJZVYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O.ClH/c10-9(11)13-12-6-5-7-1-3-8(14)4-2-7;/h1-4,6,14H,5H2,(H4,10,11,13);1H.
What are the key properties of 2-[2-(4-hydroxyphenyl)ethylideneamino]guanidine;hydrochloride?
2-[2-(4-hydroxyphenyl)ethylideneamino]guanidine;hydrochloride has a molecular weight of 228.68 g/mol, XLogP of 0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxyphenyl)ethylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 76547169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).