1-amino-3-[2-(2-methoxyphenyl)ethyl]-2-(3-methoxypropyl)guanidine

C14H24N4O2 — CID 106262762

IUPAC1-amino-3-[2-(2-methoxyphenyl)ethyl]-2-(3-methoxypropyl)guanidine
SMILESCOCCC/N=C(\NN)NCCc1ccccc1OC
InChIInChI=1S/C14H24N4O2/c1-19-11-5-9-16-14(18-15)17-10-8-12-6-3-4-7-13(12)20-2/h3-4,6-7H,5,8-11,15H2,1-2H3,(H2,16,17,18)
InChIKeyZTZOBMKKQUQCQH-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.68
Rot. Bonds8

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

1-amino-3-[2-(2-methoxyphenyl)ethyl]-2-(3-methoxypropyl)guanidine (PubChem CID 106262762) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-amino-3-[2-(2-methoxyphenyl)ethyl]-2-(3-methoxypropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-[2-(2-methoxyphenyl)ethyl]-2-(3-methoxypropyl)guanidine
PubChem CID106262762
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-amino-3-[2-(2-methoxyphenyl)ethyl]-2-(3-methoxypropyl)guanidine
SMILESCOCCC/N=C(\NN)NCCc1ccccc1OC
InChIInChI=1S/C14H24N4O2/c1-19-11-5-9-16-14(18-15)17-10-8-12-6-3-4-7-13(12)20-2/h3-4,6-7H,5,8-11,15H2,1-2H3,(H2,16,17,18)
InChIKeyZTZOBMKKQUQCQH-UHFFFAOYSA-N
XLogP0.68
TPSA80.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.68
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-(2-methoxyphenyl)ethyl]guanidine
CID 106262764
1-amino-3-[2-(2-fluorophenyl)ethyl]-2-(2-methoxyethyl)guanidine
CID 116512075
1-(2-methoxyethyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine
CID 110941548
1-amino-2-(3-methoxypropyl)-3-(2-phenoxyethyl)guanidine
CID 116513779
1-[2-(2-methoxyphenyl)ethyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methylguanidine
CID 111652706
1-ethyl-3-[2-(2-methoxyphenyl)ethyl]-2-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111340512
1-amino-3-(2-methoxyethyl)-2-(3-phenylpropyl)guanidine
CID 116513509
ethyl 4-[[ethylamino-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]butanoate;hydroiodide
CID 111340530
2-[3-(cyclopropylmethoxy)propyl]-1-ethyl-3-[2-(2-methoxyphenyl)ethyl]guanidine
CID 111340239
2-(2-butoxyethyl)-1-ethyl-3-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111339946
2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]guanidine
CID 111340273
2-amino-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]pentanamide
CID 106260897

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-(2-methoxyphenyl)ethyl]-2-(3-methoxypropyl)guanidine?
The IUPAC name of 1-amino-3-[2-(2-methoxyphenyl)ethyl]-2-(3-methoxypropyl)guanidine (CID 106262762) is 1-amino-3-[2-(2-methoxyphenyl)ethyl]-2-(3-methoxypropyl)guanidine.
What is the SMILES notation for 1-amino-3-[2-(2-methoxyphenyl)ethyl]-2-(3-methoxypropyl)guanidine?
The canonical SMILES for 1-amino-3-[2-(2-methoxyphenyl)ethyl]-2-(3-methoxypropyl)guanidine is COCCC/N=C(\NN)NCCc1ccccc1OC.
What is the InChIKey of 1-amino-3-[2-(2-methoxyphenyl)ethyl]-2-(3-methoxypropyl)guanidine?
The InChIKey is ZTZOBMKKQUQCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-19-11-5-9-16-14(18-15)17-10-8-12-6-3-4-7-13(12)20-2/h3-4,6-7H,5,8-11,15H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-amino-3-[2-(2-methoxyphenyl)ethyl]-2-(3-methoxypropyl)guanidine?
1-amino-3-[2-(2-methoxyphenyl)ethyl]-2-(3-methoxypropyl)guanidine has a molecular weight of 280.37 g/mol, XLogP of 0.68, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-(2-methoxyphenyl)ethyl]-2-(3-methoxypropyl)guanidine is sourced from PubChem (CID 106262762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).