1-[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]ethanamine

C18H28N2O — CID 64509728

IUPAC1-[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(Cc2cccc3c2OC(C)(C)C3)CC1
InChIInChI=1S/C18H28N2O/c1-13(19)14-7-9-20(10-8-14)12-16-6-4-5-15-11-18(2,3)21-17(15)16/h4-6,13-14H,7-12,19H2,1-3H3
InChIKeyHJFXMUDAYFTXOC-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.96
Rot. Bonds3

About 1-[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]ethanamine

1-[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]ethanamine (PubChem CID 64509728) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]ethanamine
PubChem CID64509728
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(Cc2cccc3c2OC(C)(C)C3)CC1
InChIInChI=1S/C18H28N2O/c1-13(19)14-7-9-20(10-8-14)12-16-6-4-5-15-11-18(2,3)21-17(15)16/h4-6,13-14H,7-12,19H2,1-3H3
InChIKeyHJFXMUDAYFTXOC-UHFFFAOYSA-N
XLogP2.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine
CID 64509514
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylpiperidin-4-amine
CID 79879219
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-N-methylpyrrolidin-3-amine
CID 115299994
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-2-amine
CID 64508577
7-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 68966400
1,1-dicyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]methanamine
CID 64508357
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 143736405
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-2-imidazol-1-ylpropanamide
CID 69170478
3-[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 120825901
1-cyclohexyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]ethanamine
CID 64508824
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]morpholine-2-carboxylic acid
CID 65067171
1-(2,2-difluoroethyl)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine
CID 126769654

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]ethanamine (CID 64509728) is 1-[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]ethanamine is CC(N)C1CCN(Cc2cccc3c2OC(C)(C)C3)CC1.
What is the InChIKey of 1-[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]ethanamine?
The InChIKey is HJFXMUDAYFTXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(19)14-7-9-20(10-8-14)12-16-6-4-5-15-11-18(2,3)21-17(15)16/h4-6,13-14H,7-12,19H2,1-3H3.
What are the key properties of 1-[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]ethanamine?
1-[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]ethanamine has a molecular weight of 288.43 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 64509728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).