2-methyl-1-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide

C13H21IN4O — CID 75419013

IUPAC2-methyl-1-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
SMILESC/N=C(\N)NCc1ccccc1N1CCOCC1.I
InChIInChI=1S/C13H20N4O.HI/c1-15-13(14)16-10-11-4-2-3-5-12(11)17-6-8-18-9-7-17;/h2-5H,6-10H2,1H3,(H3,14,15,16);1H
InChIKeyLFYSZVOADNXYOZ-UHFFFAOYSA-N
MW376.24 g/mol
LogP1.18
Rot. Bonds3

About 2-methyl-1-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide

2-methyl-1-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide (PubChem CID 75419013) has the molecular formula C13H21IN4O and a molecular weight of 376.24 g/mol. Its IUPAC name is 2-methyl-1-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
PubChem CID75419013
Molecular FormulaC13H21IN4O
Molecular Weight376.24 g/mol
Exact Mass376.08
IUPAC Name2-methyl-1-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
SMILESC/N=C(\N)NCc1ccccc1N1CCOCC1.I
InChIInChI=1S/C13H20N4O.HI/c1-15-13(14)16-10-11-4-2-3-5-12(11)17-6-8-18-9-7-17;/h2-5H,6-10H2,1H3,(H3,14,15,16);1H
InChIKeyLFYSZVOADNXYOZ-UHFFFAOYSA-N
XLogP1.18
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-methyl-1-[(2-morpholin-4-ylphenyl)methyl]-3-prop-2-enylguanidine;hydroiodide
CID 110981042
1-[(2-fluorophenyl)methyl]-2-methyl-3-[(2-morpholin-4-ylphenyl)methyl]guanidine
CID 111266589
N',3,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111153568
4-(2-fluorophenyl)-N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111148524
2-methyl-1-(2-methyl-2-phenylpropyl)-3-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 111948098
2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[(2-morpholin-4-ylphenyl)methyl]guanidine
CID 111217759
N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 110983986
1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 111865543
N',3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide
CID 111144464
1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-[(2-morpholin-4-ylphenyl)methyl]guanidine
CID 111287453
2-methyl-1-[(2-morpholin-4-ylphenyl)methyl]-3-(thiophen-3-ylmethyl)guanidine
CID 111939667

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide (CID 75419013) is 2-methyl-1-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide is C/N=C(\N)NCc1ccccc1N1CCOCC1.I.
What is the InChIKey of 2-methyl-1-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide?
The InChIKey is LFYSZVOADNXYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O.HI/c1-15-13(14)16-10-11-4-2-3-5-12(11)17-6-8-18-9-7-17;/h2-5H,6-10H2,1H3,(H3,14,15,16);1H.
What are the key properties of 2-methyl-1-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide?
2-methyl-1-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide has a molecular weight of 376.24 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 75419013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).