1-[2-(2,5-difluorophenyl)ethyl]-2-methylguanidine;hydroiodide

C10H14F2IN3 — CID 111573049

IUPAC1-[2-(2,5-difluorophenyl)ethyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\N)NCCc1cc(F)ccc1F.I
InChIInChI=1S/C10H13F2N3.HI/c1-14-10(13)15-5-4-7-6-8(11)2-3-9(7)12;/h2-3,6H,4-5H2,1H3,(H3,13,14,15);1H
InChIKeyXPLUAQXVQJAWPE-UHFFFAOYSA-N
MW341.14 g/mol
LogP1.66
Rot. Bonds3

About 1-[2-(2,5-difluorophenyl)ethyl]-2-methylguanidine;hydroiodide

1-[2-(2,5-difluorophenyl)ethyl]-2-methylguanidine;hydroiodide (PubChem CID 111573049) has the molecular formula C10H14F2IN3 and a molecular weight of 341.14 g/mol. Its IUPAC name is 1-[2-(2,5-difluorophenyl)ethyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(2,5-difluorophenyl)ethyl]-2-methylguanidine;hydroiodide
PubChem CID111573049
Molecular FormulaC10H14F2IN3
Molecular Weight341.14 g/mol
Exact Mass341.02
IUPAC Name1-[2-(2,5-difluorophenyl)ethyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\N)NCCc1cc(F)ccc1F.I
InChIInChI=1S/C10H13F2N3.HI/c1-14-10(13)15-5-4-7-6-8(11)2-3-9(7)12;/h2-3,6H,4-5H2,1H3,(H3,13,14,15);1H
InChIKeyXPLUAQXVQJAWPE-UHFFFAOYSA-N
XLogP1.66
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.14
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

1-[2-(2,5-difluorophenyl)ethyl]-2,3-dimethylguanidine;hydroiodide
CID 111573047
2-(2,5-difluorophenyl)ethylurea
CID 115168493
1-[2-(2,5-difluorophenyl)ethyl]-2-methyl-3-pentylguanidine
CID 111965479
2-amino-N-[2-(2,5-difluorophenyl)ethyl]propanamide
CID 115152492
N-[2-(2,5-difluorophenyl)ethyl]propanamide
CID 71113752
2-amino-N-[2-(2,5-difluorophenyl)ethyl]acetamide
CID 82492756
1-[2-(2,5-difluorophenyl)ethyl]-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine;hydroiodide
CID 109409114
1-[2-(2,5-difluorophenyl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111600901
1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxyethyl)urea
CID 111573173
N-[2-(2,5-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110788175
1-[2-(2,4-difluorophenyl)ethyl]-2-(2-methoxyethyl)guanidine;hydroiodide
CID 111118220
1-[2-(5-bromo-2-fluorophenyl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111077808

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-difluorophenyl)ethyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-[2-(2,5-difluorophenyl)ethyl]-2-methylguanidine;hydroiodide (CID 111573049) is 1-[2-(2,5-difluorophenyl)ethyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-(2,5-difluorophenyl)ethyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-[2-(2,5-difluorophenyl)ethyl]-2-methylguanidine;hydroiodide is C/N=C(\N)NCCc1cc(F)ccc1F.I.
What is the InChIKey of 1-[2-(2,5-difluorophenyl)ethyl]-2-methylguanidine;hydroiodide?
The InChIKey is XPLUAQXVQJAWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3.HI/c1-14-10(13)15-5-4-7-6-8(11)2-3-9(7)12;/h2-3,6H,4-5H2,1H3,(H3,13,14,15);1H.
What are the key properties of 1-[2-(2,5-difluorophenyl)ethyl]-2-methylguanidine;hydroiodide?
1-[2-(2,5-difluorophenyl)ethyl]-2-methylguanidine;hydroiodide has a molecular weight of 341.14 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-difluorophenyl)ethyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111573049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).