1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide

C14H24IN3O — CID 110913747

IUPAC1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide
SMILESCCNC(=NCCc1ccccc1OC)NCC.I
InChIInChI=1S/C14H23N3O.HI/c1-4-15-14(16-5-2)17-11-10-12-8-6-7-9-13(12)18-3;/h6-9H,4-5,10-11H2,1-3H3,(H2,15,16,17);1H
InChIKeyLRZSIQYFARKKIO-UHFFFAOYSA-N
MW377.27 g/mol
LogP2.43
Rot. Bonds6

About 1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide

1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide (PubChem CID 110913747) has the molecular formula C14H24IN3O and a molecular weight of 377.27 g/mol. Its IUPAC name is 1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide
PubChem CID110913747
Molecular FormulaC14H24IN3O
Molecular Weight377.27 g/mol
Exact Mass377.10
IUPAC Name1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide
SMILESCCNC(=NCCc1ccccc1OC)NCC.I
InChIInChI=1S/C14H23N3O.HI/c1-4-15-14(16-5-2)17-11-10-12-8-6-7-9-13(12)18-3;/h6-9H,4-5,10-11H2,1-3H3,(H2,15,16,17);1H
InChIKeyLRZSIQYFARKKIO-UHFFFAOYSA-N
XLogP2.43
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 110913748
1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-prop-2-ynylguanidine
CID 136922921
1-ethyl-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111785270
1-ethyl-3-[2-(3-hydroxyphenyl)ethyl]-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 111340973
2-(2-butoxyethyl)-1-ethyl-3-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111339946
1-ethyl-3-[2-(2-methoxyphenyl)ethyl]-2-(2-quinolin-8-ylethyl)guanidine;hydroiodide
CID 111339350
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 110996661
1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine
CID 111614344
1-ethyl-2-[2-(2-methoxyphenyl)ethyl]-3-(2-propylcyclopropyl)guanidine
CID 111713694
1-ethyl-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111216372
1-ethyl-3-[2-(2-methoxyphenyl)ethyl]-2-(2-phenylmethoxyethyl)guanidine
CID 111964913
1-ethyl-3-[2-(2-methoxyphenyl)ethyl]-2-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111340512

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide (CID 110913747) is 1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide is CCNC(=NCCc1ccccc1OC)NCC.I.
What is the InChIKey of 1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide?
The InChIKey is LRZSIQYFARKKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O.HI/c1-4-15-14(16-5-2)17-11-10-12-8-6-7-9-13(12)18-3;/h6-9H,4-5,10-11H2,1-3H3,(H2,15,16,17);1H.
What are the key properties of 1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide?
1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide has a molecular weight of 377.27 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 110913747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).