1-(1-benzofuran-2-yl)-N-methyl-2-(oxan-4-yl)ethanamine

C16H21NO2 — CID 63092027

IUPAC1-(1-benzofuran-2-yl)-N-methyl-2-(oxan-4-yl)ethanamine
SMILESCNC(CC1CCOCC1)c1cc2ccccc2o1
InChIInChI=1S/C16H21NO2/c1-17-14(10-12-6-8-18-9-7-12)16-11-13-4-2-3-5-15(13)19-16/h2-5,11-12,14,17H,6-10H2,1H3
InChIKeyFTKHBBAVBGIDBP-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.51
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-N-methyl-2-(oxan-4-yl)ethanamine

1-(1-benzofuran-2-yl)-N-methyl-2-(oxan-4-yl)ethanamine (PubChem CID 63092027) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-methyl-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-methyl-2-(oxan-4-yl)ethanamine
PubChem CID63092027
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-(1-benzofuran-2-yl)-N-methyl-2-(oxan-4-yl)ethanamine
SMILESCNC(CC1CCOCC1)c1cc2ccccc2o1
InChIInChI=1S/C16H21NO2/c1-17-14(10-12-6-8-18-9-7-12)16-11-13-4-2-3-5-15(13)19-16/h2-5,11-12,14,17H,6-10H2,1H3
InChIKeyFTKHBBAVBGIDBP-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

N-[1-(1-benzofuran-2-yl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 63091681
1-(1-benzofuran-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 55180087
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 114730770
1-(1-benzofuran-2-yl)-N'-(cyclobutylmethyl)-N,N'-dimethylethane-1,2-diamine
CID 62862357
1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine
CID 61064024
1-(1-benzofuran-2-yl)-2-cyclopentylsulfonyl-N-methylethanamine
CID 64675092
1-(1-benzofuran-2-yl)-N-methyl-2-(2-methyloxolan-3-yl)sulfinylethanamine
CID 107758456
1-(5-chloro-1-benzofuran-2-yl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105185674
1-(1-benzofuran-2-yl)-N,3-dimethylbut-3-en-1-amine
CID 79185588
1-(1-benzofuran-2-yl)-2-ethylsulfanyl-N-methylethanamine
CID 64615500
2-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 105045483
1-(7-bromo-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine
CID 105139091

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-methyl-2-(oxan-4-yl)ethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-methyl-2-(oxan-4-yl)ethanamine (CID 63092027) is 1-(1-benzofuran-2-yl)-N-methyl-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-methyl-2-(oxan-4-yl)ethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-methyl-2-(oxan-4-yl)ethanamine is CNC(CC1CCOCC1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-methyl-2-(oxan-4-yl)ethanamine?
The InChIKey is FTKHBBAVBGIDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-17-14(10-12-6-8-18-9-7-12)16-11-13-4-2-3-5-15(13)19-16/h2-5,11-12,14,17H,6-10H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-methyl-2-(oxan-4-yl)ethanamine?
1-(1-benzofuran-2-yl)-N-methyl-2-(oxan-4-yl)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-methyl-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 63092027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).