N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(1-methylpiperidin-4-yl)ethanamine

C17H26N2O — CID 61003470

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(1-methylpiperidin-4-yl)ethanamine
SMILESCC(NCC1Cc2ccccc2O1)C1CCN(C)CC1
InChIInChI=1S/C17H26N2O/c1-13(14-7-9-19(2)10-8-14)18-12-16-11-15-5-3-4-6-17(15)20-16/h3-6,13-14,16,18H,7-12H2,1-2H3
InChIKeyZJAMMIZZKSDUBG-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.31
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(1-methylpiperidin-4-yl)ethanamine

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(1-methylpiperidin-4-yl)ethanamine (PubChem CID 61003470) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(1-methylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(1-methylpiperidin-4-yl)ethanamine
PubChem CID61003470
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(1-methylpiperidin-4-yl)ethanamine
SMILESCC(NCC1Cc2ccccc2O1)C1CCN(C)CC1
InChIInChI=1S/C17H26N2O/c1-13(14-7-9-19(2)10-8-14)18-12-16-11-15-5-3-4-6-17(15)20-16/h3-6,13-14,16,18H,7-12H2,1-2H3
InChIKeyZJAMMIZZKSDUBG-UHFFFAOYSA-N
XLogP2.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)propane-1,2-diamine
CID 104867584
(1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-phenylethanamine
CID 79036025
1-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine
CID 66348195
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,3-dimethylpiperidin-4-amine
CID 115708414
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)hexan-2-amine
CID 54895979
1-cyclopropyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 66364285
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-ethoxypropan-2-amine
CID 66347030
1-(5-bromofuran-2-yl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine
CID 104652832
4-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)butan-2-amine
CID 83186640
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine
CID 43163825
3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 66349179
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(1-methylpiperidin-4-yl)ethanamine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(1-methylpiperidin-4-yl)ethanamine (CID 61003470) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(1-methylpiperidin-4-yl)ethanamine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(1-methylpiperidin-4-yl)ethanamine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(1-methylpiperidin-4-yl)ethanamine is CC(NCC1Cc2ccccc2O1)C1CCN(C)CC1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(1-methylpiperidin-4-yl)ethanamine?
The InChIKey is ZJAMMIZZKSDUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(14-7-9-19(2)10-8-14)18-12-16-11-15-5-3-4-6-17(15)20-16/h3-6,13-14,16,18H,7-12H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(1-methylpiperidin-4-yl)ethanamine?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(1-methylpiperidin-4-yl)ethanamine has a molecular weight of 274.41 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(1-methylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 61003470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).