1-(2-hydroxy-2-phenylpropyl)-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide

C17H29IN4O2 — CID 111823554

IUPAC1-(2-hydroxy-2-phenylpropyl)-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
SMILESC/N=C(\NCCN1CCOCC1)NCC(C)(O)c1ccccc1.I
InChIInChI=1S/C17H28N4O2.HI/c1-17(22,15-6-4-3-5-7-15)14-20-16(18-2)19-8-9-21-10-12-23-13-11-21;/h3-7,22H,8-14H2,1-2H3,(H2,18,19,20);1H
InChIKeyJITKUJSPPGDUGM-UHFFFAOYSA-N
MW448.35 g/mol
LogP1.01
Rot. Bonds6

About 1-(2-hydroxy-2-phenylpropyl)-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide

1-(2-hydroxy-2-phenylpropyl)-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide (PubChem CID 111823554) has the molecular formula C17H29IN4O2 and a molecular weight of 448.35 g/mol. Its IUPAC name is 1-(2-hydroxy-2-phenylpropyl)-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-hydroxy-2-phenylpropyl)-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
PubChem CID111823554
Molecular FormulaC17H29IN4O2
Molecular Weight448.35 g/mol
Exact Mass448.13
IUPAC Name1-(2-hydroxy-2-phenylpropyl)-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
SMILESC/N=C(\NCCN1CCOCC1)NCC(C)(O)c1ccccc1.I
InChIInChI=1S/C17H28N4O2.HI/c1-17(22,15-6-4-3-5-7-15)14-20-16(18-2)19-8-9-21-10-12-23-13-11-21;/h3-7,22H,8-14H2,1-2H3,(H2,18,19,20);1H
InChIKeyJITKUJSPPGDUGM-UHFFFAOYSA-N
XLogP1.01
TPSA69.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.35
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-methyl-2-phenylpropyl)-3-(2-morpholin-4-ylethyl)guanidine
CID 111062892
2-methyl-1-[2-methyl-2-(3-methylphenyl)propyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111088109
1-(3-anilinopropyl)-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111088199
2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)guanidine
CID 111022923
1-[2-(4-benzylpiperazin-1-yl)ethyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111315256
2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]-N-phenylacetamide;hydroiodide
CID 111073692
2-methyl-1-(3-methyl-2-phenylbutyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111069121
1-[(2-fluorophenyl)methyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111026670
2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111029813
1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111805178
2-methyl-1-(2-morpholin-4-ylethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111037415
2-methyl-1-(2-morpholin-4-ylethyl)-3-[(1-phenylsulfanylcyclopropyl)methyl]guanidine;hydroiodide
CID 111557273

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-phenylpropyl)-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-(2-hydroxy-2-phenylpropyl)-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide (CID 111823554) is 1-(2-hydroxy-2-phenylpropyl)-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(2-hydroxy-2-phenylpropyl)-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-(2-hydroxy-2-phenylpropyl)-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide is C/N=C(\NCCN1CCOCC1)NCC(C)(O)c1ccccc1.I.
What is the InChIKey of 1-(2-hydroxy-2-phenylpropyl)-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?
The InChIKey is JITKUJSPPGDUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2.HI/c1-17(22,15-6-4-3-5-7-15)14-20-16(18-2)19-8-9-21-10-12-23-13-11-21;/h3-7,22H,8-14H2,1-2H3,(H2,18,19,20);1H.
What are the key properties of 1-(2-hydroxy-2-phenylpropyl)-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?
1-(2-hydroxy-2-phenylpropyl)-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide has a molecular weight of 448.35 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-phenylpropyl)-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111823554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).