(5-fluoro-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanamine

C15H13FN2O — CID 105185794

IUPAC(5-fluoro-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanamine
SMILESCc1ncccc1C(N)c1cc2cc(F)ccc2o1
InChIInChI=1S/C15H13FN2O/c1-9-12(3-2-6-18-9)15(17)14-8-10-7-11(16)4-5-13(10)19-14/h2-8,15H,17H2,1H3
InChIKeyUSDXDWKCANROQV-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.32
Rot. Bonds2

About (5-fluoro-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanamine

(5-fluoro-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanamine (PubChem CID 105185794) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is (5-fluoro-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(5-fluoro-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanamine
PubChem CID105185794
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name(5-fluoro-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanamine
SMILESCc1ncccc1C(N)c1cc2cc(F)ccc2o1
InChIInChI=1S/C15H13FN2O/c1-9-12(3-2-6-18-9)15(17)14-8-10-7-11(16)4-5-13(10)19-14/h2-8,15H,17H2,1H3
InChIKeyUSDXDWKCANROQV-UHFFFAOYSA-N
XLogP3.32
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-1-benzofuran-2-yl)-(2-iodophenyl)methanamine
CID 105046202
(3-ethyl-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114730701
(2,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046082
(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
(5-fluoro-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanone
CID 105132409
1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methanamine
CID 55182202
(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanamine
CID 105046160
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 114727953
(2,6-dimethyl-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105185391
(4-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114727555
(3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114727611

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanamine?
The IUPAC name of (5-fluoro-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanamine (CID 105185794) is (5-fluoro-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for (5-fluoro-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanamine?
The canonical SMILES for (5-fluoro-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanamine is Cc1ncccc1C(N)c1cc2cc(F)ccc2o1.
What is the InChIKey of (5-fluoro-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanamine?
The InChIKey is USDXDWKCANROQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-9-12(3-2-6-18-9)15(17)14-8-10-7-11(16)4-5-13(10)19-14/h2-8,15H,17H2,1H3.
What are the key properties of (5-fluoro-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanamine?
(5-fluoro-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanamine has a molecular weight of 256.28 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 105185794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).