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

C16H29IN4O — CID 110914071

IUPAC2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
SMILESCCN(CC)Cc1ccccc1C/N=C(\N)NCCOC.I
InChIInChI=1S/C16H28N4O.HI/c1-4-20(5-2)13-15-9-7-6-8-14(15)12-19-16(17)18-10-11-21-3;/h6-9H,4-5,10-13H2,1-3H3,(H3,17,18,19);1H
InChIKeyMHQAZMSKFSORRV-UHFFFAOYSA-N
MW420.34 g/mol
LogP2.20
Rot. Bonds9

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

2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide (PubChem CID 110914071) has the molecular formula C16H29IN4O and a molecular weight of 420.34 g/mol. Its IUPAC name is 2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
PubChem CID110914071
Molecular FormulaC16H29IN4O
Molecular Weight420.34 g/mol
Exact Mass420.14
IUPAC Name2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
SMILESCCN(CC)Cc1ccccc1C/N=C(\N)NCCOC.I
InChIInChI=1S/C16H28N4O.HI/c1-4-20(5-2)13-15-9-7-6-8-14(15)12-19-16(17)18-10-11-21-3;/h6-9H,4-5,10-13H2,1-3H3,(H3,17,18,19);1H
InChIKeyMHQAZMSKFSORRV-UHFFFAOYSA-N
XLogP2.20
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.34
LogP ≤ 52.20
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'}

Analyze 2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110914959
2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111036327
2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111036259
2-[(2,3-dimethoxyphenyl)methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 75419036
2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111036299
1-(2-methoxyethyl)-2-[(2-propoxy-3-pyridinyl)methyl]guanidine
CID 110918819
1-(3-chloro-4-methoxyphenyl)-2-[[2-(diethylaminomethyl)phenyl]methyl]guanidine;hydroiodide
CID 111036325
2-[(2-butoxy-3-pyridinyl)methyl]-1-(2-methoxyethyl)guanidine
CID 110918831
2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111036308
2-[[2-(diethylaminomethyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111036303
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-hexylguanidine
CID 111034457
2-[[4-(dimethylamino)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 51131423

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide?
The IUPAC name of 2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide (CID 110914071) is 2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide?
The canonical SMILES for 2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide is CCN(CC)Cc1ccccc1C/N=C(\N)NCCOC.I.
What is the InChIKey of 2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide?
The InChIKey is MHQAZMSKFSORRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O.HI/c1-4-20(5-2)13-15-9-7-6-8-14(15)12-19-16(17)18-10-11-21-3;/h6-9H,4-5,10-13H2,1-3H3,(H3,17,18,19);1H.
What are the key properties of 2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide?
2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide has a molecular weight of 420.34 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyethyl)guanidine;hydroiodide is sourced from PubChem (CID 110914071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).