1-(1-benzofuran-2-yl)-N-(oxan-3-ylmethyl)ethanamine

C16H21NO2 — CID 54906398

IUPAC1-(1-benzofuran-2-yl)-N-(oxan-3-ylmethyl)ethanamine
SMILESCC(NCC1CCCOC1)c1cc2ccccc2o1
InChIInChI=1S/C16H21NO2/c1-12(17-10-13-5-4-8-18-11-13)16-9-14-6-2-3-7-15(14)19-16/h2-3,6-7,9,12-13,17H,4-5,8,10-11H2,1H3
InChIKeyFDMYHOHJFLMRJT-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.51
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-N-(oxan-3-ylmethyl)ethanamine

1-(1-benzofuran-2-yl)-N-(oxan-3-ylmethyl)ethanamine (PubChem CID 54906398) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-(oxan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-(oxan-3-ylmethyl)ethanamine
PubChem CID54906398
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-(1-benzofuran-2-yl)-N-(oxan-3-ylmethyl)ethanamine
SMILESCC(NCC1CCCOC1)c1cc2ccccc2o1
InChIInChI=1S/C16H21NO2/c1-12(17-10-13-5-4-8-18-11-13)16-9-14-6-2-3-7-15(14)19-16/h2-3,6-7,9,12-13,17H,4-5,8,10-11H2,1H3
InChIKeyFDMYHOHJFLMRJT-UHFFFAOYSA-N
XLogP3.51
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 63462273
1-(1-benzofuran-2-yl)-N-[(2-methylcyclopentyl)methyl]ethanamine
CID 107417019
(1S)-1-(2-chlorophenyl)-N-[[(3R)-oxan-3-yl]methyl]ethanamine
CID 93447506
1-(2,6-difluorophenyl)-N-(oxan-3-ylmethyl)ethanamine
CID 54906872
(1R)-1-(4-bromophenyl)-N-(oxan-3-ylmethyl)ethanamine
CID 81354216
2-methyl-N-(oxan-3-ylmethyl)-1-phenylpropan-1-amine
CID 54905602
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(3R)-oxolan-3-yl]oxypropan-1-amine
CID 97323660
2-[1-(1-benzofuran-2-yl)ethylamino]-1-cyclopropylethanol
CID 63295328
1-(1-benzofuran-2-yl)-N-(2-cyclopentyloxyethyl)ethanamine
CID 63823703
N-[1-(1-benzofuran-2-yl)ethyl]-3-cyclohexylpropanamide
CID 18198408
N-[1-(1-benzofuran-2-yl)ethyl]cyclopropanamine
CID 18071242
1-(5-bromo-1-benzofuran-2-yl)-N-(cyclohexylmethyl)ethanamine
CID 43371437

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-(oxan-3-ylmethyl)ethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-(oxan-3-ylmethyl)ethanamine (CID 54906398) is 1-(1-benzofuran-2-yl)-N-(oxan-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-(oxan-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-(oxan-3-ylmethyl)ethanamine is CC(NCC1CCCOC1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-(oxan-3-ylmethyl)ethanamine?
The InChIKey is FDMYHOHJFLMRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12(17-10-13-5-4-8-18-11-13)16-9-14-6-2-3-7-15(14)19-16/h2-3,6-7,9,12-13,17H,4-5,8,10-11H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-(oxan-3-ylmethyl)ethanamine?
1-(1-benzofuran-2-yl)-N-(oxan-3-ylmethyl)ethanamine has a molecular weight of 259.35 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-(oxan-3-ylmethyl)ethanamine is sourced from PubChem (CID 54906398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).