1-amino-3-(2-ethoxyphenyl)-2-(2-methoxyethyl)guanidine

C12H20N4O2 — CID 116511618

IUPAC1-amino-3-(2-ethoxyphenyl)-2-(2-methoxyethyl)guanidine
SMILESCCOc1ccccc1N/C(=N/CCOC)NN
InChIInChI=1S/C12H20N4O2/c1-3-18-11-7-5-4-6-10(11)15-12(16-13)14-8-9-17-2/h4-7H,3,8-9,13H2,1-2H3,(H2,14,15,16)
InChIKeyBTIJLLJQWUCVLJ-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.96
Rot. Bonds6

About 1-amino-3-(2-ethoxyphenyl)-2-(2-methoxyethyl)guanidine

1-amino-3-(2-ethoxyphenyl)-2-(2-methoxyethyl)guanidine (PubChem CID 116511618) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-amino-3-(2-ethoxyphenyl)-2-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name1-amino-3-(2-ethoxyphenyl)-2-(2-methoxyethyl)guanidine
PubChem CID116511618
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1-amino-3-(2-ethoxyphenyl)-2-(2-methoxyethyl)guanidine
SMILESCCOc1ccccc1N/C(=N/CCOC)NN
InChIInChI=1S/C12H20N4O2/c1-3-18-11-7-5-4-6-10(11)15-12(16-13)14-8-9-17-2/h4-7H,3,8-9,13H2,1-2H3,(H2,14,15,16)
InChIKeyBTIJLLJQWUCVLJ-UHFFFAOYSA-N
XLogP0.96
TPSA80.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-amino-2-butyl-3-(2-methoxyphenyl)guanidine
CID 116511512
1-amino-3-(3-fluoro-2-iodophenyl)-2-(2-methoxyethyl)guanidine
CID 114261793
1-(2-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357
1-amino-3-(5-chloro-2-fluorophenyl)-2-(2-methoxyethyl)guanidine
CID 116513201
1-amino-2-butyl-3-(2,5-diethoxyphenyl)guanidine
CID 116511806
N-(2-ethoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 15943045
1-amino-3-(4-chloro-2-fluorophenyl)-2-(2-methoxyethyl)guanidine
CID 116514806
1-amino-3-(2-methoxyphenyl)-2-methylguanidine
CID 116510612
N'-(2-ethoxyphenyl)-N-(3-methoxypropyl)oxamide
CID 2271593
N-amino-2-methoxy-N'-(2-methoxyethyl)benzenecarboximidamide
CID 62542671
methyl 3-(2-ethoxyanilino)-3-oxopropanoate
CID 28637956
1-amino-2-(2-methoxyethyl)-3-(1-pyridin-2-ylethyl)guanidine
CID 116513293

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-ethoxyphenyl)-2-(2-methoxyethyl)guanidine?
The IUPAC name of 1-amino-3-(2-ethoxyphenyl)-2-(2-methoxyethyl)guanidine (CID 116511618) is 1-amino-3-(2-ethoxyphenyl)-2-(2-methoxyethyl)guanidine.
What is the SMILES notation for 1-amino-3-(2-ethoxyphenyl)-2-(2-methoxyethyl)guanidine?
The canonical SMILES for 1-amino-3-(2-ethoxyphenyl)-2-(2-methoxyethyl)guanidine is CCOc1ccccc1N/C(=N/CCOC)NN.
What is the InChIKey of 1-amino-3-(2-ethoxyphenyl)-2-(2-methoxyethyl)guanidine?
The InChIKey is BTIJLLJQWUCVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-3-18-11-7-5-4-6-10(11)15-12(16-13)14-8-9-17-2/h4-7H,3,8-9,13H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-amino-3-(2-ethoxyphenyl)-2-(2-methoxyethyl)guanidine?
1-amino-3-(2-ethoxyphenyl)-2-(2-methoxyethyl)guanidine has a molecular weight of 252.32 g/mol, XLogP of 0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-ethoxyphenyl)-2-(2-methoxyethyl)guanidine is sourced from PubChem (CID 116511618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).