1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-pyridin-4-ylethanamine

C16H15FN2O — CID 105160602

IUPAC1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-pyridin-4-ylethanamine
SMILESCc1c(C(N)Cc2ccncc2)oc2ccc(F)cc12
InChIInChI=1S/C16H15FN2O/c1-10-13-9-12(17)2-3-15(13)20-16(10)14(18)8-11-4-6-19-7-5-11/h2-7,9,14H,8,18H2,1H3
InChIKeyCJZWPTZYIOTQBK-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.52
Rot. Bonds3

About 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-pyridin-4-ylethanamine

1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-pyridin-4-ylethanamine (PubChem CID 105160602) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-pyridin-4-ylethanamine.

Molecular Properties

Compound Name1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-pyridin-4-ylethanamine
PubChem CID105160602
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-pyridin-4-ylethanamine
SMILESCc1c(C(N)Cc2ccncc2)oc2ccc(F)cc12
InChIInChI=1S/C16H15FN2O/c1-10-13-9-12(17)2-3-15(13)20-16(10)14(18)8-11-4-6-19-7-5-11/h2-7,9,14H,8,18H2,1H3
InChIKeyCJZWPTZYIOTQBK-UHFFFAOYSA-N
XLogP3.52
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine
CID 105134166
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propan-2-yloxyethanamine
CID 105168110
2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine
CID 105139486
1-(4-fluoro-2-methylphenyl)-2-pyridin-4-ylethanamine
CID 62791571
2-(3-chloro-4-pyridinyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol
CID 105105511
2-(1-chloro-2-methylpropyl)-5-fluoro-3-methyl-1-benzofuran
CID 66778604
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butylhydrazine
CID 105282165
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 105078061
2-(3-chlorophenyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol
CID 105076751
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-thiophen-3-ylethanamine
CID 105137498
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylprop-2-en-1-ol
CID 105110464
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)but-3-en-1-ol
CID 105081653

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-pyridin-4-ylethanamine?
The IUPAC name of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-pyridin-4-ylethanamine (CID 105160602) is 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-pyridin-4-ylethanamine.
What is the SMILES notation for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-pyridin-4-ylethanamine?
The canonical SMILES for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-pyridin-4-ylethanamine is Cc1c(C(N)Cc2ccncc2)oc2ccc(F)cc12.
What is the InChIKey of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-pyridin-4-ylethanamine?
The InChIKey is CJZWPTZYIOTQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-10-13-9-12(17)2-3-15(13)20-16(10)14(18)8-11-4-6-19-7-5-11/h2-7,9,14H,8,18H2,1H3.
What are the key properties of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-pyridin-4-ylethanamine?
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-pyridin-4-ylethanamine has a molecular weight of 270.31 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-pyridin-4-ylethanamine is sourced from PubChem (CID 105160602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).