1-(1-benzofuran-3-yl)-2-(5-methyl-2-pyridinyl)ethanamine

C16H16N2O — CID 66447303

IUPAC1-(1-benzofuran-3-yl)-2-(5-methyl-2-pyridinyl)ethanamine
SMILESCc1ccc(CC(N)c2coc3ccccc23)nc1
InChIInChI=1S/C16H16N2O/c1-11-6-7-12(18-9-11)8-15(17)14-10-19-16-5-3-2-4-13(14)16/h2-7,9-10,15H,8,17H2,1H3
InChIKeyKGOZPIDMOONFQU-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.38
Rot. Bonds3

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

1-(1-benzofuran-3-yl)-2-(5-methyl-2-pyridinyl)ethanamine (PubChem CID 66447303) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-2-(5-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-2-(5-methyl-2-pyridinyl)ethanamine
PubChem CID66447303
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name1-(1-benzofuran-3-yl)-2-(5-methyl-2-pyridinyl)ethanamine
SMILESCc1ccc(CC(N)c2coc3ccccc23)nc1
InChIInChI=1S/C16H16N2O/c1-11-6-7-12(18-9-11)8-15(17)14-10-19-16-5-3-2-4-13(14)16/h2-7,9-10,15H,8,17H2,1H3
InChIKeyKGOZPIDMOONFQU-UHFFFAOYSA-N
XLogP3.38
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methyl-2-pyridinyl)-1-naphthalen-1-ylethanamine
CID 66446913
2-(5-methyl-2-pyridinyl)-1-phenylethanamine
CID 63196674
1-(furan-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 66446721
1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 66446522
(1S)-1-(1-benzofuran-3-yl)pentan-1-amine
CID 165356907
4-amino-4-(1-benzofuran-3-yl)butan-2-one
CID 116940622
1-(5-bromo-2-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 66446142
1-benzofuran-3-yl(chloro)methanamine
CID 116947842
1-(1-benzofuran-3-yl)-3-methylbutane-1,4-diamine
CID 116934253
1-(2-bromo-4-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 66446521
1-(1-benzothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 66447688
1-(1-benzofuran-3-yl)-2-(5-chloro-2-fluorophenyl)ethanamine
CID 103049047

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-2-(5-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(1-benzofuran-3-yl)-2-(5-methyl-2-pyridinyl)ethanamine (CID 66447303) is 1-(1-benzofuran-3-yl)-2-(5-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-2-(5-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(1-benzofuran-3-yl)-2-(5-methyl-2-pyridinyl)ethanamine is Cc1ccc(CC(N)c2coc3ccccc23)nc1.
What is the InChIKey of 1-(1-benzofuran-3-yl)-2-(5-methyl-2-pyridinyl)ethanamine?
The InChIKey is KGOZPIDMOONFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11-6-7-12(18-9-11)8-15(17)14-10-19-16-5-3-2-4-13(14)16/h2-7,9-10,15H,8,17H2,1H3.
What are the key properties of 1-(1-benzofuran-3-yl)-2-(5-methyl-2-pyridinyl)ethanamine?
1-(1-benzofuran-3-yl)-2-(5-methyl-2-pyridinyl)ethanamine has a molecular weight of 252.32 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-2-(5-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 66447303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).