2-hydroxy-1-(4-methoxyphenyl)-1-methylguanidine

C9H13N3O2 — CID 62482698

IUPAC2-hydroxy-1-(4-methoxyphenyl)-1-methylguanidine
SMILESCOc1ccc(N(C)/C(N)=N/O)cc1
InChIInChI=1S/C9H13N3O2/c1-12(9(10)11-13)7-3-5-8(14-2)6-4-7/h3-6,13H,1-2H3,(H2,10,11)
InChIKeyPJIGBMOXXZJAKT-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.84
Rot. Bonds2

About 2-hydroxy-1-(4-methoxyphenyl)-1-methylguanidine

2-hydroxy-1-(4-methoxyphenyl)-1-methylguanidine (PubChem CID 62482698) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-hydroxy-1-(4-methoxyphenyl)-1-methylguanidine.

Molecular Properties

Compound Name2-hydroxy-1-(4-methoxyphenyl)-1-methylguanidine
PubChem CID62482698
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-hydroxy-1-(4-methoxyphenyl)-1-methylguanidine
SMILESCOc1ccc(N(C)/C(N)=N/O)cc1
InChIInChI=1S/C9H13N3O2/c1-12(9(10)11-13)7-3-5-8(14-2)6-4-7/h3-6,13H,1-2H3,(H2,10,11)
InChIKeyPJIGBMOXXZJAKT-UHFFFAOYSA-N
XLogP0.84
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.84
H-Bond Donors ≤ 52
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxy-N-methylanilino)prop-2-enamide
CID 175949684
(4-methoxyphenyl)-methylcarbamic acid
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CID 71376980
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
4-methoxy-N-(4-methoxyphenyl)-N-methylaniline;hydrochloride
CID 175476332
2-chloro-N'-hydroxy-4-(4-methoxy-N-methylanilino)benzenecarboximidamide
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1-(4-methoxyphenyl)-1,3-dimethylurea
CID 116655338
4-bromo-N'-hydroxy-2-(4-methoxy-N-methylanilino)benzenecarboximidamide
CID 114904020
2-chloro-N-(4-methoxyphenyl)-N-methylacetamide
CID 4714233
N'-hydroxy-N-(4-methoxyphenoxy)ethanimidamide
CID 154186935
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
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1-(4-methoxyphenyl)-1-methyl-3-phenylthiourea
CID 116508176

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(4-methoxyphenyl)-1-methylguanidine?
The IUPAC name of 2-hydroxy-1-(4-methoxyphenyl)-1-methylguanidine (CID 62482698) is 2-hydroxy-1-(4-methoxyphenyl)-1-methylguanidine.
What is the SMILES notation for 2-hydroxy-1-(4-methoxyphenyl)-1-methylguanidine?
The canonical SMILES for 2-hydroxy-1-(4-methoxyphenyl)-1-methylguanidine is COc1ccc(N(C)/C(N)=N/O)cc1.
What is the InChIKey of 2-hydroxy-1-(4-methoxyphenyl)-1-methylguanidine?
The InChIKey is PJIGBMOXXZJAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-12(9(10)11-13)7-3-5-8(14-2)6-4-7/h3-6,13H,1-2H3,(H2,10,11).
What are the key properties of 2-hydroxy-1-(4-methoxyphenyl)-1-methylguanidine?
2-hydroxy-1-(4-methoxyphenyl)-1-methylguanidine has a molecular weight of 195.22 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(4-methoxyphenyl)-1-methylguanidine is sourced from PubChem (CID 62482698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).