1-[2-(2-fluorophenyl)cyclopropyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide

C16H19FIN3O — CID 110938675

IUPAC1-[2-(2-fluorophenyl)cyclopropyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCc1ccco1)NC1CC1c1ccccc1F.I
InChIInChI=1S/C16H18FN3O.HI/c1-18-16(19-10-11-5-4-8-21-11)20-15-9-13(15)12-6-2-3-7-14(12)17;/h2-8,13,15H,9-10H2,1H3,(H2,18,19,20);1H
InChIKeyCAEXQQSWRBIFMW-UHFFFAOYSA-N
MW415.25 g/mol
LogP3.26
Rot. Bonds4

About 1-[2-(2-fluorophenyl)cyclopropyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide

1-[2-(2-fluorophenyl)cyclopropyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide (PubChem CID 110938675) has the molecular formula C16H19FIN3O and a molecular weight of 415.25 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)cyclopropyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)cyclopropyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide
PubChem CID110938675
Molecular FormulaC16H19FIN3O
Molecular Weight415.25 g/mol
Exact Mass415.06
IUPAC Name1-[2-(2-fluorophenyl)cyclopropyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCc1ccco1)NC1CC1c1ccccc1F.I
InChIInChI=1S/C16H18FN3O.HI/c1-18-16(19-10-11-5-4-8-21-11)20-15-9-13(15)12-6-2-3-7-14(12)17;/h2-8,13,15H,9-10H2,1H3,(H2,18,19,20);1H
InChIKeyCAEXQQSWRBIFMW-UHFFFAOYSA-N
XLogP3.26
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.25
LogP ≤ 53.26
H-Bond Donors ≤ 52
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

1-[(1R,2S)-2-(4-bromo-3-fluorophenyl)cyclopropyl]-3-(furan-2-ylmethyl)-2-methylguanidine
CID 120662574
1-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-3-(furan-2-ylmethyl)-2-methylguanidine
CID 120671441
1-[2-(2-fluorophenyl)cyclopropyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111877896
1-[2-(2-fluorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110942222
1-(furan-2-ylmethyl)-2-methyl-3-[3-(2-methylphenyl)cyclobutyl]guanidine;hydroiodide
CID 120679723
1-[2-(2-fluorophenyl)cyclopropyl]-2-methyl-3-[(2-prop-2-enoxyphenyl)methyl]guanidine;hydroiodide
CID 111556443
1-[2-(2-fluorophenyl)cyclopropyl]-2-methyl-3-(3-phenylpropyl)guanidine
CID 111198612
1-[2-(2-fluorophenyl)cyclopropyl]-2-methyl-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111857984
1-[2-(2-fluorophenyl)cyclopropyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine;hydroiodide
CID 111410312
1-cyclopentyl-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide
CID 110991138
1-[(1R,1aS,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-3-(furan-2-ylmethyl)-2-methylguanidine
CID 124777358
1-(3-butoxypropyl)-3-[2-(2-fluorophenyl)cyclopropyl]-2-methylguanidine
CID 111238889

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)cyclopropyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide?
The IUPAC name of 1-[2-(2-fluorophenyl)cyclopropyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide (CID 110938675) is 1-[2-(2-fluorophenyl)cyclopropyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-(2-fluorophenyl)cyclopropyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-[2-(2-fluorophenyl)cyclopropyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide is C/N=C(\NCc1ccco1)NC1CC1c1ccccc1F.I.
What is the InChIKey of 1-[2-(2-fluorophenyl)cyclopropyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide?
The InChIKey is CAEXQQSWRBIFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O.HI/c1-18-16(19-10-11-5-4-8-21-11)20-15-9-13(15)12-6-2-3-7-14(12)17;/h2-8,13,15H,9-10H2,1H3,(H2,18,19,20);1H.
What are the key properties of 1-[2-(2-fluorophenyl)cyclopropyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide?
1-[2-(2-fluorophenyl)cyclopropyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide has a molecular weight of 415.25 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)cyclopropyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 110938675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).