2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1,1-diethylguanidine;hydroiodide

C15H26FIN4 — CID 111056502

IUPAC2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1,1-diethylguanidine;hydroiodide
SMILESCCN(CC)/C(N)=N/CC(c1ccc(F)cc1)N(C)C.I
InChIInChI=1S/C15H25FN4.HI/c1-5-20(6-2)15(17)18-11-14(19(3)4)12-7-9-13(16)10-8-12;/h7-10,14H,5-6,11H2,1-4H3,(H2,17,18);1H
InChIKeyTWLFFLABTUNMJE-UHFFFAOYSA-N
MW408.30 g/mol
LogP2.70
Rot. Bonds6

About 2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1,1-diethylguanidine;hydroiodide

2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1,1-diethylguanidine;hydroiodide (PubChem CID 111056502) has the molecular formula C15H26FIN4 and a molecular weight of 408.30 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1,1-diethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1,1-diethylguanidine;hydroiodide
PubChem CID111056502
Molecular FormulaC15H26FIN4
Molecular Weight408.30 g/mol
Exact Mass408.12
IUPAC Name2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1,1-diethylguanidine;hydroiodide
SMILESCCN(CC)/C(N)=N/CC(c1ccc(F)cc1)N(C)C.I
InChIInChI=1S/C15H25FN4.HI/c1-5-20(6-2)15(17)18-11-14(19(3)4)12-7-9-13(16)10-8-12;/h7-10,14H,5-6,11H2,1-4H3,(H2,17,18);1H
InChIKeyTWLFFLABTUNMJE-UHFFFAOYSA-N
XLogP2.70
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-1,1-diethylguanidine
CID 111814372
2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111056482
2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110916519
N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]piperidine-1-carboximidamide
CID 111056561
1,1-diethyl-2-[2-(4-fluorophenyl)sulfanylethyl]guanidine;hydroiodide
CID 111811915
2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-ethyl-3-propan-2-ylguanidine
CID 111123891
2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111056519
2-[[amino(diethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111089290
N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110920341
2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(3,4-dimethylphenyl)guanidine
CID 111056501
2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-pyridin-2-ylguanidine
CID 119118613
1-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 110916523

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1,1-diethylguanidine;hydroiodide?
The IUPAC name of 2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1,1-diethylguanidine;hydroiodide (CID 111056502) is 2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1,1-diethylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1,1-diethylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1,1-diethylguanidine;hydroiodide is CCN(CC)/C(N)=N/CC(c1ccc(F)cc1)N(C)C.I.
What is the InChIKey of 2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1,1-diethylguanidine;hydroiodide?
The InChIKey is TWLFFLABTUNMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN4.HI/c1-5-20(6-2)15(17)18-11-14(19(3)4)12-7-9-13(16)10-8-12;/h7-10,14H,5-6,11H2,1-4H3,(H2,17,18);1H.
What are the key properties of 2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1,1-diethylguanidine;hydroiodide?
2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1,1-diethylguanidine;hydroiodide has a molecular weight of 408.30 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1,1-diethylguanidine;hydroiodide is sourced from PubChem (CID 111056502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).