2-[[4-(dimethylamino)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide

C13H23IN4O — CID 51131423

IUPAC2-[[4-(dimethylamino)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
SMILESCOCCN/C(N)=N/Cc1ccc(N(C)C)cc1.I
InChIInChI=1S/C13H22N4O.HI/c1-17(2)12-6-4-11(5-7-12)10-16-13(14)15-8-9-18-3;/h4-7H,8-10H2,1-3H3,(H3,14,15,16);1H
InChIKeyCNXWNFIPUQKNMO-UHFFFAOYSA-N
MW378.26 g/mol
LogP1.42
Rot. Bonds6

About 2-[[4-(dimethylamino)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide

2-[[4-(dimethylamino)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide (PubChem CID 51131423) has the molecular formula C13H23IN4O and a molecular weight of 378.26 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[[4-(dimethylamino)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
PubChem CID51131423
Molecular FormulaC13H23IN4O
Molecular Weight378.26 g/mol
Exact Mass378.09
IUPAC Name2-[[4-(dimethylamino)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
SMILESCOCCN/C(N)=N/Cc1ccc(N(C)C)cc1.I
InChIInChI=1S/C13H22N4O.HI/c1-17(2)12-6-4-11(5-7-12)10-16-13(14)15-8-9-18-3;/h4-7H,8-10H2,1-3H3,(H3,14,15,16);1H
InChIKeyCNXWNFIPUQKNMO-UHFFFAOYSA-N
XLogP1.42
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'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-[[4-(dimethylamino)phenyl]methyl]-1-(2-methoxyethyl)guanidine
CID 51131424
1-butyl-2-[[4-(dimethylamino)phenyl]methyl]guanidine;hydroiodide
CID 111033123
2-[[4-(dimethylamino)phenyl]methyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111033131
2-[[4-(dimethylamino)phenyl]methyl]-1-hexylguanidine
CID 111033144
2-[(6-chloro-3-pyridinyl)methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110916458
2-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110924905
2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-propylguanidine;hydroiodide
CID 111061286
1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 110916111
2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111089808
1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 110916112
1-butyl-2-[[4-(methoxymethyl)phenyl]methyl]guanidine
CID 111053813
2-[(2,3-dimethoxyphenyl)methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 75419036

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide?
The IUPAC name of 2-[[4-(dimethylamino)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide (CID 51131423) is 2-[[4-(dimethylamino)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[[4-(dimethylamino)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide?
The canonical SMILES for 2-[[4-(dimethylamino)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide is COCCN/C(N)=N/Cc1ccc(N(C)C)cc1.I.
What is the InChIKey of 2-[[4-(dimethylamino)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide?
The InChIKey is CNXWNFIPUQKNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O.HI/c1-17(2)12-6-4-11(5-7-12)10-16-13(14)15-8-9-18-3;/h4-7H,8-10H2,1-3H3,(H3,14,15,16);1H.
What are the key properties of 2-[[4-(dimethylamino)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide?
2-[[4-(dimethylamino)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide has a molecular weight of 378.26 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide is sourced from PubChem (CID 51131423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).