1-(2-ethoxyethyl)-2-methyl-3-[(2-phenoxyphenyl)methyl]guanidine;hydroiodide

C19H26IN3O2 — CID 111894696

IUPAC1-(2-ethoxyethyl)-2-methyl-3-[(2-phenoxyphenyl)methyl]guanidine;hydroiodide
SMILESCCOCCN/C(=N\C)NCc1ccccc1Oc1ccccc1.I
InChIInChI=1S/C19H25N3O2.HI/c1-3-23-14-13-21-19(20-2)22-15-16-9-7-8-12-18(16)24-17-10-5-4-6-11-17;/h4-12H,3,13-15H2,1-2H3,(H2,20,21,22);1H
InChIKeyRVJRKILTQHBXQQ-UHFFFAOYSA-N
MW455.34 g/mol
LogP3.80
Rot. Bonds8

About 1-(2-ethoxyethyl)-2-methyl-3-[(2-phenoxyphenyl)methyl]guanidine;hydroiodide

1-(2-ethoxyethyl)-2-methyl-3-[(2-phenoxyphenyl)methyl]guanidine;hydroiodide (PubChem CID 111894696) has the molecular formula C19H26IN3O2 and a molecular weight of 455.34 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-2-methyl-3-[(2-phenoxyphenyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-2-methyl-3-[(2-phenoxyphenyl)methyl]guanidine;hydroiodide
PubChem CID111894696
Molecular FormulaC19H26IN3O2
Molecular Weight455.34 g/mol
Exact Mass455.11
IUPAC Name1-(2-ethoxyethyl)-2-methyl-3-[(2-phenoxyphenyl)methyl]guanidine;hydroiodide
SMILESCCOCCN/C(=N\C)NCc1ccccc1Oc1ccccc1.I
InChIInChI=1S/C19H25N3O2.HI/c1-3-23-14-13-21-19(20-2)22-15-16-9-7-8-12-18(16)24-17-10-5-4-6-11-17;/h4-12H,3,13-15H2,1-2H3,(H2,20,21,22);1H
InChIKeyRVJRKILTQHBXQQ-UHFFFAOYSA-N
XLogP3.80
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.34
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

2-methyl-1-[(2-phenoxyphenyl)methyl]-3-propan-2-ylguanidine;hydroiodide
CID 111125527
2-methyl-1-[(2-phenoxyphenyl)methyl]-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111904214
1-[[2-(azepan-1-ylmethyl)phenyl]methyl]-3-(2-ethoxyethyl)-2-methylguanidine
CID 111999763
1-(4-ethoxybutyl)-2-methyl-3-[[2-(trifluoromethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111848436
1-(2-ethoxyethyl)-2-methyl-3-[[4-(phenoxymethyl)phenyl]methyl]guanidine
CID 111896601
1-[[2-(cyclopropylmethoxy)phenyl]methyl]-3-(4-ethoxybutyl)-2-methylguanidine;hydroiodide
CID 111577774
1-[(2-ethoxyphenyl)methyl]-3-[2-(3-fluorophenoxy)ethyl]-2-methylguanidine;hydroiodide
CID 111880346
1-(2-ethoxyethyl)-2-methyl-3-[(2-nitrophenyl)methyl]guanidine
CID 111894559
1-(3-ethoxypropyl)-2-methyl-3-[[2-(3-methylbutoxy)phenyl]methyl]guanidine
CID 111222465
1-(2-ethoxyethyl)-2-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111374440
2-methyl-1-(2-phenoxyethyl)-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine
CID 111006763
1-(3-ethoxypropyl)-2-methyl-3-[[2-(phenylmethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111222302

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-2-methyl-3-[(2-phenoxyphenyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-(2-ethoxyethyl)-2-methyl-3-[(2-phenoxyphenyl)methyl]guanidine;hydroiodide (CID 111894696) is 1-(2-ethoxyethyl)-2-methyl-3-[(2-phenoxyphenyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(2-ethoxyethyl)-2-methyl-3-[(2-phenoxyphenyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-(2-ethoxyethyl)-2-methyl-3-[(2-phenoxyphenyl)methyl]guanidine;hydroiodide is CCOCCN/C(=N\C)NCc1ccccc1Oc1ccccc1.I.
What is the InChIKey of 1-(2-ethoxyethyl)-2-methyl-3-[(2-phenoxyphenyl)methyl]guanidine;hydroiodide?
The InChIKey is RVJRKILTQHBXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2.HI/c1-3-23-14-13-21-19(20-2)22-15-16-9-7-8-12-18(16)24-17-10-5-4-6-11-17;/h4-12H,3,13-15H2,1-2H3,(H2,20,21,22);1H.
What are the key properties of 1-(2-ethoxyethyl)-2-methyl-3-[(2-phenoxyphenyl)methyl]guanidine;hydroiodide?
1-(2-ethoxyethyl)-2-methyl-3-[(2-phenoxyphenyl)methyl]guanidine;hydroiodide has a molecular weight of 455.34 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-2-methyl-3-[(2-phenoxyphenyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111894696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).