2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-hydroxyguanidine

C12H20N4O2 — CID 55079682

IUPAC2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-hydroxyguanidine
SMILESCOc1cccc(C(C/N=C(\N)NO)N(C)C)c1
InChIInChI=1S/C12H20N4O2/c1-16(2)11(8-14-12(13)15-17)9-5-4-6-10(7-9)18-3/h4-7,11,17H,8H2,1-3H3,(H3,13,14,15)
InChIKeyKDQFYJFXRHOPGE-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.59
Rot. Bonds5

About 2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-hydroxyguanidine

2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-hydroxyguanidine (PubChem CID 55079682) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-hydroxyguanidine.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-hydroxyguanidine
PubChem CID55079682
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-hydroxyguanidine
SMILESCOc1cccc(C(C/N=C(\N)NO)N(C)C)c1
InChIInChI=1S/C12H20N4O2/c1-16(2)11(8-14-12(13)15-17)9-5-4-6-10(7-9)18-3/h4-7,11,17H,8H2,1-3H3,(H3,13,14,15)
InChIKeyKDQFYJFXRHOPGE-UHFFFAOYSA-N
XLogP0.59
TPSA83.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine
CID 62364368
2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(3,5-dimethylphenyl)guanidine
CID 111029410
N'-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]cyclopropanecarboximidamide
CID 63173772
1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine
CID 62364596
2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111029436
2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine;hydroiodide
CID 111037503
2-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111029305
2-isocyanato-1-(3-methoxyphenyl)-N,N-dimethylethanamine
CID 63109938
1-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine
CID 111037506
2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111037548
2-[2-(dimethylamino)-2-phenylethyl]-1-(4-methoxyphenyl)guanidine
CID 111026174
methyl 3-(dimethylamino)-3-(3-methoxyphenyl)propanoate
CID 116910243

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-hydroxyguanidine?
The IUPAC name of 2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-hydroxyguanidine (CID 55079682) is 2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-hydroxyguanidine.
What is the SMILES notation for 2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-hydroxyguanidine?
The canonical SMILES for 2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-hydroxyguanidine is COc1cccc(C(C/N=C(\N)NO)N(C)C)c1.
What is the InChIKey of 2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-hydroxyguanidine?
The InChIKey is KDQFYJFXRHOPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-16(2)11(8-14-12(13)15-17)9-5-4-6-10(7-9)18-3/h4-7,11,17H,8H2,1-3H3,(H3,13,14,15).
What are the key properties of 2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-hydroxyguanidine?
2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-hydroxyguanidine has a molecular weight of 252.32 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-hydroxyguanidine is sourced from PubChem (CID 55079682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).