(5-fluoro-1-benzofuran-2-yl)-(2-iodophenyl)methanamine

C15H11FINO — CID 105046202

IUPAC(5-fluoro-1-benzofuran-2-yl)-(2-iodophenyl)methanamine
SMILESNC(c1cc2cc(F)ccc2o1)c1ccccc1I
InChIInChI=1S/C15H11FINO/c16-10-5-6-13-9(7-10)8-14(19-13)15(18)11-3-1-2-4-12(11)17/h1-8,15H,18H2
InChIKeySTQKPAAZGYRAEX-UHFFFAOYSA-N
MW367.16 g/mol
LogP4.22
Rot. Bonds2

About (5-fluoro-1-benzofuran-2-yl)-(2-iodophenyl)methanamine

(5-fluoro-1-benzofuran-2-yl)-(2-iodophenyl)methanamine (PubChem CID 105046202) has the molecular formula C15H11FINO and a molecular weight of 367.16 g/mol. Its IUPAC name is (5-fluoro-1-benzofuran-2-yl)-(2-iodophenyl)methanamine.

Molecular Properties

Compound Name(5-fluoro-1-benzofuran-2-yl)-(2-iodophenyl)methanamine
PubChem CID105046202
Molecular FormulaC15H11FINO
Molecular Weight367.16 g/mol
Exact Mass366.99
IUPAC Name(5-fluoro-1-benzofuran-2-yl)-(2-iodophenyl)methanamine
SMILESNC(c1cc2cc(F)ccc2o1)c1ccccc1I
InChIInChI=1S/C15H11FINO/c16-10-5-6-13-9(7-10)8-14(19-13)15(18)11-3-1-2-4-12(11)17/h1-8,15H,18H2
InChIKeySTQKPAAZGYRAEX-UHFFFAOYSA-N
XLogP4.22
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.16
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(5-fluoro-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanamine
CID 105185794
(2,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046082
1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methanamine
CID 55182202
[(2-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105208817
(2-iodophenyl)-(2,4,6-trifluorophenyl)methanamine
CID 43198713
(5-chloro-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046147
(4-bromo-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046089
(4-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114727555
(3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114727611
(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanamine
CID 105046160
1-(5-fluoro-1-benzofuran-2-yl)-2-methyl-2-phenylpropan-1-amine
CID 114728507
(3-chloro-4-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114728550

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzofuran-2-yl)-(2-iodophenyl)methanamine?
The IUPAC name of (5-fluoro-1-benzofuran-2-yl)-(2-iodophenyl)methanamine (CID 105046202) is (5-fluoro-1-benzofuran-2-yl)-(2-iodophenyl)methanamine.
What is the SMILES notation for (5-fluoro-1-benzofuran-2-yl)-(2-iodophenyl)methanamine?
The canonical SMILES for (5-fluoro-1-benzofuran-2-yl)-(2-iodophenyl)methanamine is NC(c1cc2cc(F)ccc2o1)c1ccccc1I.
What is the InChIKey of (5-fluoro-1-benzofuran-2-yl)-(2-iodophenyl)methanamine?
The InChIKey is STQKPAAZGYRAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FINO/c16-10-5-6-13-9(7-10)8-14(19-13)15(18)11-3-1-2-4-12(11)17/h1-8,15H,18H2.
What are the key properties of (5-fluoro-1-benzofuran-2-yl)-(2-iodophenyl)methanamine?
(5-fluoro-1-benzofuran-2-yl)-(2-iodophenyl)methanamine has a molecular weight of 367.16 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-benzofuran-2-yl)-(2-iodophenyl)methanamine is sourced from PubChem (CID 105046202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).