2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]ethanamine

C16H24N2O — CID 66365373

IUPAC2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]ethanamine
SMILESNCCC1CCCCN1CC1Cc2ccccc2O1
InChIInChI=1S/C16H24N2O/c17-9-8-14-6-3-4-10-18(14)12-15-11-13-5-1-2-7-16(13)19-15/h1-2,5,7,14-15H,3-4,6,8-12,17H2
InChIKeyJWYBJLQFDQEEEL-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.19
Rot. Bonds4

About 2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]ethanamine

2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]ethanamine (PubChem CID 66365373) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]ethanamine
PubChem CID66365373
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]ethanamine
SMILESNCCC1CCCCN1CC1Cc2ccccc2O1
InChIInChI=1S/C16H24N2O/c17-9-8-14-6-3-4-10-18(14)12-15-11-13-5-1-2-7-16(13)19-15/h1-2,5,7,14-15H,3-4,6,8-12,17H2
InChIKeyJWYBJLQFDQEEEL-UHFFFAOYSA-N
XLogP2.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)azepan-2-yl]propan-2-ol
CID 114338733
2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]acetic acid
CID 66364780
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)azepan-2-yl]propan-2-one
CID 79541745
[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-2-yl]methanamine
CID 66364320
2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidin-2-yl]ethanamine
CID 104769014
[1-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]azepan-2-yl]methanol
CID 116637752
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclohexan-1-amine
CID 66363798
[(2S)-1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 79036064
3-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 66361819
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidine-3-carbonitrile
CID 66364745
2-[1-(2-chlorophenyl)piperidin-2-yl]ethanamine
CID 82388545
3-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrolidin-2-yl]propan-1-ol
CID 62469246

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]ethanamine?
The IUPAC name of 2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]ethanamine (CID 66365373) is 2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]ethanamine?
The canonical SMILES for 2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]ethanamine is NCCC1CCCCN1CC1Cc2ccccc2O1.
What is the InChIKey of 2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]ethanamine?
The InChIKey is JWYBJLQFDQEEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c17-9-8-14-6-3-4-10-18(14)12-15-11-13-5-1-2-7-16(13)19-15/h1-2,5,7,14-15H,3-4,6,8-12,17H2.
What are the key properties of 2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]ethanamine?
2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]ethanamine has a molecular weight of 260.38 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]ethanamine is sourced from PubChem (CID 66365373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).