1-amino-2-[2-(3-methylphenoxy)ethyl]guanidine

C10H16N4O — CID 64869053

IUPAC1-amino-2-[2-(3-methylphenoxy)ethyl]guanidine
SMILESCc1cccc(OCC/N=C(\N)NN)c1
InChIInChI=1S/C10H16N4O/c1-8-3-2-4-9(7-8)15-6-5-13-10(11)14-12/h2-4,7H,5-6,12H2,1H3,(H3,11,13,14)
InChIKeySSKFKQIFOVSYGJ-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.15
Rot. Bonds4

About 1-amino-2-[2-(3-methylphenoxy)ethyl]guanidine

1-amino-2-[2-(3-methylphenoxy)ethyl]guanidine (PubChem CID 64869053) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-amino-2-[2-(3-methylphenoxy)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-2-[2-(3-methylphenoxy)ethyl]guanidine
PubChem CID64869053
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-amino-2-[2-(3-methylphenoxy)ethyl]guanidine
SMILESCc1cccc(OCC/N=C(\N)NN)c1
InChIInChI=1S/C10H16N4O/c1-8-3-2-4-9(7-8)15-6-5-13-10(11)14-12/h2-4,7H,5-6,12H2,1H3,(H3,11,13,14)
InChIKeySSKFKQIFOVSYGJ-UHFFFAOYSA-N
XLogP0.15
TPSA85.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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

1-ethyl-2-[2-(3-methylphenoxy)ethyl]guanidine
CID 62364211
1-cyclopentyl-2-[2-(3-methylphenoxy)ethyl]guanidine
CID 62369394
1-(3-methoxyphenyl)-2-[2-(3-methylphenoxy)ethyl]guanidine
CID 111031972
1-(2-methoxyphenyl)-2-[2-(3-methylphenoxy)ethyl]guanidine;hydroiodide
CID 111031973
N-[3-[2-[[amino-(3-methylanilino)methylidene]amino]ethoxy]phenyl]acetamide
CID 111101623
1,1-diethyl-2-[2-(3-methylphenoxy)ethyl]guanidine;hydroiodide
CID 75534622
1-amino-3-(1-methoxypropan-2-yl)-2-[2-(3-methylphenoxy)ethyl]guanidine
CID 116513759
N'-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111032037
2-(3-ethoxypropyl)-1-[2-(3-methylphenoxy)ethyl]guanidine
CID 111031992
2-[2-(3,4-difluorophenoxy)ethyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111806119
1-amino-2-[(3-methylphenyl)methyl]guanidine
CID 64868829
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(3-methylphenoxy)ethyl]guanidine?
The IUPAC name of 1-amino-2-[2-(3-methylphenoxy)ethyl]guanidine (CID 64869053) is 1-amino-2-[2-(3-methylphenoxy)ethyl]guanidine.
What is the SMILES notation for 1-amino-2-[2-(3-methylphenoxy)ethyl]guanidine?
The canonical SMILES for 1-amino-2-[2-(3-methylphenoxy)ethyl]guanidine is Cc1cccc(OCC/N=C(\N)NN)c1.
What is the InChIKey of 1-amino-2-[2-(3-methylphenoxy)ethyl]guanidine?
The InChIKey is SSKFKQIFOVSYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-8-3-2-4-9(7-8)15-6-5-13-10(11)14-12/h2-4,7H,5-6,12H2,1H3,(H3,11,13,14).
What are the key properties of 1-amino-2-[2-(3-methylphenoxy)ethyl]guanidine?
1-amino-2-[2-(3-methylphenoxy)ethyl]guanidine has a molecular weight of 208.26 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(3-methylphenoxy)ethyl]guanidine is sourced from PubChem (CID 64869053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).