1-[2-[(3-ethylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine

C18H26N2O — CID 62433787

IUPAC1-[2-[(3-ethylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
SMILESCCC1CCCN(Cc2oc3ccccc3c2CNC)C1
InChIInChI=1S/C18H26N2O/c1-3-14-7-6-10-20(12-14)13-18-16(11-19-2)15-8-4-5-9-17(15)21-18/h4-5,8-9,14,19H,3,6-7,10-13H2,1-2H3
InChIKeyJLGJLUFWZRGTTA-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.77
Rot. Bonds5

About 1-[2-[(3-ethylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine

1-[2-[(3-ethylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine (PubChem CID 62433787) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[2-[(3-ethylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(3-ethylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
PubChem CID62433787
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-[2-[(3-ethylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
SMILESCCC1CCCN(Cc2oc3ccccc3c2CNC)C1
InChIInChI=1S/C18H26N2O/c1-3-14-7-6-10-20(12-14)13-18-16(11-19-2)15-8-4-5-9-17(15)21-18/h4-5,8-9,14,19H,3,6-7,10-13H2,1-2H3
InChIKeyJLGJLUFWZRGTTA-UHFFFAOYSA-N
XLogP3.77
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[2-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]methanamine
CID 62424895
N-methyl-1-[2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1-benzofuran-3-yl]methanamine
CID 62974116
1-[2-[(2-ethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
CID 62438605
[2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1-benzofuran-3-yl]methanamine
CID 106589409
1-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
CID 83219900
1-[1-(dibenzofuran-4-ylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 131891384
1-[2-(cyclopentyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
CID 62444638
2-[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]-N-methylethanamine
CID 115463747
N-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine
CID 62437372
N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclohexanamine
CID 62424075
1-[3-[(3,5-dimethylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine
CID 62423940
[1-[(2-ethyl-1-benzofuran-3-yl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride
CID 154904546

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-ethylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(3-ethylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine (CID 62433787) is 1-[2-[(3-ethylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(3-ethylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(3-ethylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine is CCC1CCCN(Cc2oc3ccccc3c2CNC)C1.
What is the InChIKey of 1-[2-[(3-ethylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine?
The InChIKey is JLGJLUFWZRGTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-3-14-7-6-10-20(12-14)13-18-16(11-19-2)15-8-4-5-9-17(15)21-18/h4-5,8-9,14,19H,3,6-7,10-13H2,1-2H3.
What are the key properties of 1-[2-[(3-ethylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine?
1-[2-[(3-ethylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine has a molecular weight of 286.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-ethylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62433787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).