2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-hexylguanidine;hydroiodide

C19H32FIN4O — CID 111085600

IUPAC2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-hexylguanidine;hydroiodide
SMILESCCCCCCN/C(N)=N/CC(c1cccc(F)c1)N1CCOCC1.I
InChIInChI=1S/C19H31FN4O.HI/c1-2-3-4-5-9-22-19(21)23-15-18(24-10-12-25-13-11-24)16-7-6-8-17(20)14-16;/h6-8,14,18H,2-5,9-13,15H2,1H3,(H3,21,22,23);1H
InChIKeySMLRLRGTAFAABX-UHFFFAOYSA-N
MW478.39 g/mol
LogP3.30
Rot. Bonds9

About 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-hexylguanidine;hydroiodide

2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-hexylguanidine;hydroiodide (PubChem CID 111085600) has the molecular formula C19H32FIN4O and a molecular weight of 478.39 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-hexylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-hexylguanidine;hydroiodide
PubChem CID111085600
Molecular FormulaC19H32FIN4O
Molecular Weight478.39 g/mol
Exact Mass478.16
IUPAC Name2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-hexylguanidine;hydroiodide
SMILESCCCCCCN/C(N)=N/CC(c1cccc(F)c1)N1CCOCC1.I
InChIInChI=1S/C19H31FN4O.HI/c1-2-3-4-5-9-22-19(21)23-15-18(24-10-12-25-13-11-24)16-7-6-8-17(20)14-16;/h6-8,14,18H,2-5,9-13,15H2,1H3,(H3,21,22,23);1H
InChIKeySMLRLRGTAFAABX-UHFFFAOYSA-N
XLogP3.30
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.39
LogP ≤ 53.30
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

1-hexyl-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111054817
2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111085609
1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-pentylguanidine
CID 111129059
2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide
CID 110916922
1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]guanidine
CID 111693226
2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119120609
2-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111098630
2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine
CID 119120610
1-cyclopropyl-3-ethyl-2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]guanidine
CID 110988194
2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111054825
N-ethyl-N'-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide
CID 111210947
1-ethyl-2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111236076

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-hexylguanidine;hydroiodide?
The IUPAC name of 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-hexylguanidine;hydroiodide (CID 111085600) is 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-hexylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-hexylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-hexylguanidine;hydroiodide is CCCCCCN/C(N)=N/CC(c1cccc(F)c1)N1CCOCC1.I.
What is the InChIKey of 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-hexylguanidine;hydroiodide?
The InChIKey is SMLRLRGTAFAABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31FN4O.HI/c1-2-3-4-5-9-22-19(21)23-15-18(24-10-12-25-13-11-24)16-7-6-8-17(20)14-16;/h6-8,14,18H,2-5,9-13,15H2,1H3,(H3,21,22,23);1H.
What are the key properties of 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-hexylguanidine;hydroiodide?
2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-hexylguanidine;hydroiodide has a molecular weight of 478.39 g/mol, XLogP of 3.30, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-hexylguanidine;hydroiodide is sourced from PubChem (CID 111085600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).