N-[[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1-benzofuran-2-yl]methyl]ethanamine

C18H24N2O — CID 106316740

IUPACN-[[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1-benzofuran-2-yl]methyl]ethanamine
SMILESCCNCc1oc2ccccc2c1CN1CCC=C(C)C1
InChIInChI=1S/C18H24N2O/c1-3-19-11-18-16(13-20-10-6-7-14(2)12-20)15-8-4-5-9-17(15)21-18/h4-5,7-9,19H,3,6,10-13H2,1-2H3
InChIKeyPORIKHLGJRGODR-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.69
Rot. Bonds5

About N-[[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1-benzofuran-2-yl]methyl]ethanamine

N-[[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1-benzofuran-2-yl]methyl]ethanamine (PubChem CID 106316740) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1-benzofuran-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1-benzofuran-2-yl]methyl]ethanamine
PubChem CID106316740
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1-benzofuran-2-yl]methyl]ethanamine
SMILESCCNCc1oc2ccccc2c1CN1CCC=C(C)C1
InChIInChI=1S/C18H24N2O/c1-3-19-11-18-16(13-20-10-6-7-14(2)12-20)15-8-4-5-9-17(15)21-18/h4-5,7-9,19H,3,6,10-13H2,1-2H3
InChIKeyPORIKHLGJRGODR-UHFFFAOYSA-N
XLogP3.69
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1-benzofuran-2-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[3-[(2-methylmorpholin-4-yl)methyl]-1-benzofuran-2-yl]methyl]ethanamine
CID 62438923
N-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine
CID 62437372
N-[[3-[[ethyl(methyl)amino]methyl]-1-benzofuran-2-yl]methyl]ethanamine
CID 62418759
[3-[(4-ethylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine
CID 62418572
N-[[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]methyl]ethanamine
CID 63218189
N-ethyl-N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]propan-2-amine
CID 62418335
N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,3-dimethylbutan-2-amine
CID 62433185
1-[3-[(3,5-dimethylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine
CID 62423940
N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,2-dimethylpropan-1-amine
CID 62422585
N-methyl-1-[2-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]methanamine
CID 62424895
N-[[2-(cyclohexyloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 62446327
N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 115987741

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1-benzofuran-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1-benzofuran-2-yl]methyl]ethanamine (CID 106316740) is N-[[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1-benzofuran-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1-benzofuran-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1-benzofuran-2-yl]methyl]ethanamine is CCNCc1oc2ccccc2c1CN1CCC=C(C)C1.
What is the InChIKey of N-[[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1-benzofuran-2-yl]methyl]ethanamine?
The InChIKey is PORIKHLGJRGODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-19-11-18-16(13-20-10-6-7-14(2)12-20)15-8-4-5-9-17(15)21-18/h4-5,7-9,19H,3,6,10-13H2,1-2H3.
What are the key properties of N-[[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1-benzofuran-2-yl]methyl]ethanamine?
N-[[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1-benzofuran-2-yl]methyl]ethanamine has a molecular weight of 284.40 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1-benzofuran-2-yl]methyl]ethanamine is sourced from PubChem (CID 106316740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).