N-[[5-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridinyl]methyl]ethanamine

C16H18N2O — CID 114746531

IUPACN-[[5-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cncc(-c2cccc3c2OCC3)c1
InChIInChI=1S/C16H18N2O/c1-2-17-9-12-8-14(11-18-10-12)15-5-3-4-13-6-7-19-16(13)15/h3-5,8,10-11,17H,2,6-7,9H2,1H3
InChIKeyYEKKWBBMMUDMPA-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.79
Rot. Bonds4

About N-[[5-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridinyl]methyl]ethanamine

N-[[5-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridinyl]methyl]ethanamine (PubChem CID 114746531) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[[5-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridinyl]methyl]ethanamine
PubChem CID114746531
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-[[5-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cncc(-c2cccc3c2OCC3)c1
InChIInChI=1S/C16H18N2O/c1-2-17-9-12-8-14(11-18-10-12)15-5-3-4-13-6-7-19-16(13)15/h3-5,8,10-11,17H,2,6-7,9H2,1H3
InChIKeyYEKKWBBMMUDMPA-UHFFFAOYSA-N
XLogP2.79
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridinyl]methyl]ethanamine (CID 114746531) is N-[[5-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridinyl]methyl]ethanamine is CCNCc1cncc(-c2cccc3c2OCC3)c1.
What is the InChIKey of N-[[5-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is YEKKWBBMMUDMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-2-17-9-12-8-14(11-18-10-12)15-5-3-4-13-6-7-19-16(13)15/h3-5,8,10-11,17H,2,6-7,9H2,1H3.
What are the key properties of N-[[5-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridinyl]methyl]ethanamine?
N-[[5-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridinyl]methyl]ethanamine has a molecular weight of 254.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 114746531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).