2-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine

C18H28N2O — CID 79704796

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine
SMILESCCN(CCc1ccc2c(c1)CCO2)CC1CCNCC1
InChIInChI=1S/C18H28N2O/c1-2-20(14-16-5-9-19-10-6-16)11-7-15-3-4-18-17(13-15)8-12-21-18/h3-4,13,16,19H,2,5-12,14H2,1H3
InChIKeyWXDHUAHVGCMPMD-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.49
Rot. Bonds6

About 2-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine

2-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine (PubChem CID 79704796) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine
PubChem CID79704796
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine
SMILESCCN(CCc1ccc2c(c1)CCO2)CC1CCNCC1
InChIInChI=1S/C18H28N2O/c1-2-20(14-16-5-9-19-10-6-16)11-7-15-3-4-18-17(13-15)8-12-21-18/h3-4,13,16,19H,2,5-12,14H2,1H3
InChIKeyWXDHUAHVGCMPMD-UHFFFAOYSA-N
XLogP2.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-ethylethane-1,2-diamine
CID 65431778
4-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]piperidine
CID 116925700
4-(2,3-dihydro-1-benzofuran-5-yl)-1-piperidin-4-ylbutan-2-one
CID 116559956
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-ethylamino]-N'-hydroxyethanimidamide
CID 77069714
N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 79698342
2-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106635582
N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 79701893
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-methylmethanediamine
CID 115226278
3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidine
CID 65446309
4-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79117319
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604004
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-piperidin-3-ylmethanamine
CID 106623790

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine (CID 79704796) is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine is CCN(CCc1ccc2c(c1)CCO2)CC1CCNCC1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine?
The InChIKey is WXDHUAHVGCMPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-20(14-16-5-9-19-10-6-16)11-7-15-3-4-18-17(13-15)8-12-21-18/h3-4,13,16,19H,2,5-12,14H2,1H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine?
2-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine has a molecular weight of 288.44 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 79704796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).