1-amino-2-butyl-3-(4-fluoro-2-iodophenyl)guanidine

C11H16FIN4 — CID 116515734

IUPAC1-amino-2-butyl-3-(4-fluoro-2-iodophenyl)guanidine
SMILESCCCC/N=C(\NN)Nc1ccc(F)cc1I
InChIInChI=1S/C11H16FIN4/c1-2-3-6-15-11(17-14)16-10-5-4-8(12)7-9(10)13/h4-5,7H,2-3,6,14H2,1H3,(H2,15,16,17)
InChIKeyNNTSNUYLHBKPAD-UHFFFAOYSA-N
MW350.18 g/mol
LogP2.46
Rot. Bonds4

About 1-amino-2-butyl-3-(4-fluoro-2-iodophenyl)guanidine

1-amino-2-butyl-3-(4-fluoro-2-iodophenyl)guanidine (PubChem CID 116515734) has the molecular formula C11H16FIN4 and a molecular weight of 350.18 g/mol. Its IUPAC name is 1-amino-2-butyl-3-(4-fluoro-2-iodophenyl)guanidine.

Molecular Properties

Compound Name1-amino-2-butyl-3-(4-fluoro-2-iodophenyl)guanidine
PubChem CID116515734
Molecular FormulaC11H16FIN4
Molecular Weight350.18 g/mol
Exact Mass350.04
IUPAC Name1-amino-2-butyl-3-(4-fluoro-2-iodophenyl)guanidine
SMILESCCCC/N=C(\NN)Nc1ccc(F)cc1I
InChIInChI=1S/C11H16FIN4/c1-2-3-6-15-11(17-14)16-10-5-4-8(12)7-9(10)13/h4-5,7H,2-3,6,14H2,1H3,(H2,15,16,17)
InChIKeyNNTSNUYLHBKPAD-UHFFFAOYSA-N
XLogP2.46
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-amino-3-(2-bromo-4-fluorophenyl)-2-butylguanidine
CID 116512697
1-amino-2-butyl-3-(5-iodo-2-methylphenyl)guanidine
CID 114258213
1-amino-2-butyl-3-(2,4,5-trichlorophenyl)guanidine
CID 116511775
1-amino-2-butyl-3-(2,5-dichlorophenyl)guanidine
CID 116511440
1-amino-2-butyl-3-(2-methoxyphenyl)guanidine
CID 116511512
1-amino-3-(2-bromophenyl)-2-butylguanidine
CID 116512329
1-amino-2-butyl-3-[2-(4-fluoro-2-methylphenyl)ethyl]guanidine
CID 116515867
1-amino-3-(2-chloro-4-iodophenyl)-2-propylguanidine
CID 107605066
1-amino-3-(4-fluoro-2-iodophenyl)thiourea
CID 79766584
1-amino-3-(2,4-dimethylphenyl)-2-propylguanidine
CID 116512290
1-amino-3-(3,4-difluorophenyl)-2-propylguanidine
CID 116512257
1-amino-2-butyl-3-(4-methoxyphenyl)guanidine
CID 116511366

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-butyl-3-(4-fluoro-2-iodophenyl)guanidine?
The IUPAC name of 1-amino-2-butyl-3-(4-fluoro-2-iodophenyl)guanidine (CID 116515734) is 1-amino-2-butyl-3-(4-fluoro-2-iodophenyl)guanidine.
What is the SMILES notation for 1-amino-2-butyl-3-(4-fluoro-2-iodophenyl)guanidine?
The canonical SMILES for 1-amino-2-butyl-3-(4-fluoro-2-iodophenyl)guanidine is CCCC/N=C(\NN)Nc1ccc(F)cc1I.
What is the InChIKey of 1-amino-2-butyl-3-(4-fluoro-2-iodophenyl)guanidine?
The InChIKey is NNTSNUYLHBKPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FIN4/c1-2-3-6-15-11(17-14)16-10-5-4-8(12)7-9(10)13/h4-5,7H,2-3,6,14H2,1H3,(H2,15,16,17).
What are the key properties of 1-amino-2-butyl-3-(4-fluoro-2-iodophenyl)guanidine?
1-amino-2-butyl-3-(4-fluoro-2-iodophenyl)guanidine has a molecular weight of 350.18 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-butyl-3-(4-fluoro-2-iodophenyl)guanidine is sourced from PubChem (CID 116515734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).