N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-pyridin-4-ylethanamine

C18H20N2O — CID 60902981

IUPACN-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-pyridin-4-ylethanamine
SMILESCCc1oc2ccccc2c1CNCCc1ccncc1
InChIInChI=1S/C18H20N2O/c1-2-17-16(15-5-3-4-6-18(15)21-17)13-20-12-9-14-7-10-19-11-8-14/h3-8,10-11,20H,2,9,12-13H2,1H3
InChIKeyVTGYXGPVDOKSAI-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.72
Rot. Bonds6

About N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-pyridin-4-ylethanamine

N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-pyridin-4-ylethanamine (PubChem CID 60902981) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-pyridin-4-ylethanamine
PubChem CID60902981
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-pyridin-4-ylethanamine
SMILESCCc1oc2ccccc2c1CNCCc1ccncc1
InChIInChI=1S/C18H20N2O/c1-2-17-16(15-5-3-4-6-18(15)21-17)13-20-12-9-14-7-10-19-11-8-14/h3-8,10-11,20H,2,9,12-13H2,1H3
InChIKeyVTGYXGPVDOKSAI-UHFFFAOYSA-N
XLogP3.72
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-methyl-2-(phenoxymethyl)benzofuran-4-yl]oxy-N-(3-pyridylmethyl)propan-1-amine
CID 491345
2-(pyridin-4-yl)-4H,5H,6H,7H-furo[3,2-c]pyridin-4-one
CID 24778303
2-(4-Pyridinyl)furo[3,2-C]pyridin-4(5h)-One
CID 53245729
4-(1-Benzofuran-5-yl)pyridin-2-amine
CID 155920136
(-)-Dimethyl-{2-[3-((R)-1-pyridin-2-yl-ethyl)-benzofuran-2-yl]-ethyl}-amine
CID 44247935
N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide
CID 7677977
N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]pyridine-3-carboxamide
CID 9684145
3-(Benzofuran-2-ylmethylene)anabaseine
CID 10338609
N-[2-(5-Methoxy-2-pyridin-3-ylmethyl-benzofuran-3-yl)-ethyl]-acetamide
CID 11088627
1-(4-(5-(Pyridin-3-yl)benzofuran-2-yl)benzyl)azetidine-3-carboxylic acid
CID 16738333
Benzofuran-3-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606573
4-(Benzofuran-5-yl)pyridine
CID 69909895

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-pyridin-4-ylethanamine?
The IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-pyridin-4-ylethanamine (CID 60902981) is N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-pyridin-4-ylethanamine?
The canonical SMILES for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-pyridin-4-ylethanamine is CCc1oc2ccccc2c1CNCCc1ccncc1.
What is the InChIKey of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-pyridin-4-ylethanamine?
The InChIKey is VTGYXGPVDOKSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-17-16(15-5-3-4-6-18(15)21-17)13-20-12-9-14-7-10-19-11-8-14/h3-8,10-11,20H,2,9,12-13H2,1H3.
What are the key properties of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-pyridin-4-ylethanamine?
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-pyridin-4-ylethanamine has a molecular weight of 280.37 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-pyridin-4-ylethanamine is sourced from PubChem (CID 60902981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).