N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-ethylpiperidin-4-amine

C17H26N2O — CID 61039770

IUPACN-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-ethylpiperidin-4-amine
SMILESCCN1CCC(NC(C)c2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C17H26N2O/c1-3-19-9-6-16(7-10-19)18-13(2)14-4-5-17-15(12-14)8-11-20-17/h4-5,12-13,16,18H,3,6-11H2,1-2H3
InChIKeyPSRAQECFJTWWEM-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.76
Rot. Bonds4

About N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-ethylpiperidin-4-amine

N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-ethylpiperidin-4-amine (PubChem CID 61039770) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-ethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-ethylpiperidin-4-amine
PubChem CID61039770
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-ethylpiperidin-4-amine
SMILESCCN1CCC(NC(C)c2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C17H26N2O/c1-3-19-9-6-16(7-10-19)18-13(2)14-4-5-17-15(12-14)8-11-20-17/h4-5,12-13,16,18H,3,6-11H2,1-2H3
InChIKeyPSRAQECFJTWWEM-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropanamine
CID 43754666
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine
CID 43756029
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethylpiperidin-4-amine
CID 43689424
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-ethylpiperidin-4-amine
CID 61039133
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylcyclopentan-1-amine
CID 115714913
1-cyclohexyl-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine
CID 62405191
tert-butyl 3-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]piperidine-1-carboxylate
CID 113261588
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpentan-3-amine
CID 54954752
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-ethylbutan-1-amine
CID 115718022
1-ethyl-N-[(1S)-1-(4-methylphenyl)ethyl]azepan-4-amine
CID 81356240
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79861502
1-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine
CID 104542726

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-ethylpiperidin-4-amine?
The IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-ethylpiperidin-4-amine (CID 61039770) is N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-ethylpiperidin-4-amine.
What is the SMILES notation for N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-ethylpiperidin-4-amine?
The canonical SMILES for N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-ethylpiperidin-4-amine is CCN1CCC(NC(C)c2ccc3c(c2)CCO3)CC1.
What is the InChIKey of N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-ethylpiperidin-4-amine?
The InChIKey is PSRAQECFJTWWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-19-9-6-16(7-10-19)18-13(2)14-4-5-17-15(12-14)8-11-20-17/h4-5,12-13,16,18H,3,6-11H2,1-2H3.
What are the key properties of N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-ethylpiperidin-4-amine?
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-ethylpiperidin-4-amine has a molecular weight of 274.41 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-ethylpiperidin-4-amine is sourced from PubChem (CID 61039770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).