1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-2-(oxan-4-yl)ethanamine

C16H23NO2 — CID 115846765

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-2-(oxan-4-yl)ethanamine
SMILESCNC(CC1CCOCC1)c1ccc2c(c1)COC2
InChIInChI=1S/C16H23NO2/c1-17-16(8-12-4-6-18-7-5-12)13-2-3-14-10-19-11-15(14)9-13/h2-3,9,12,16-17H,4-8,10-11H2,1H3
InChIKeyCTBGAWSQAUPACY-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.79
Rot. Bonds4

About 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-2-(oxan-4-yl)ethanamine

1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-2-(oxan-4-yl)ethanamine (PubChem CID 115846765) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-2-(oxan-4-yl)ethanamine
PubChem CID115846765
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-2-(oxan-4-yl)ethanamine
SMILESCNC(CC1CCOCC1)c1ccc2c(c1)COC2
InChIInChI=1S/C16H23NO2/c1-17-16(8-12-4-6-18-7-5-12)13-2-3-14-10-19-11-15(14)9-13/h2-3,9,12,16-17H,4-8,10-11H2,1H3
InChIKeyCTBGAWSQAUPACY-UHFFFAOYSA-N
XLogP2.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-1-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115863683
1-(1,3-dihydro-2-benzofuran-5-yl)-N,3-dimethylbutan-1-amine
CID 63020410
1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 115846607
2-cycloheptyl-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 114457518
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 114330407
2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
CID 63019172
1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-dimethylpropan-1-amine
CID 63018997
2-(2-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
CID 115787083
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(furan-3-yl)-N-methylethanamine
CID 105029864
2-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylethanamine
CID 61028266
5-(1-chloro-2-cyclopentylethyl)-1,3-dihydro-2-benzofuran
CID 63019567
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-4-phenylbutan-1-amine
CID 115849427

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-2-(oxan-4-yl)ethanamine?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-2-(oxan-4-yl)ethanamine (CID 115846765) is 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-2-(oxan-4-yl)ethanamine?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-2-(oxan-4-yl)ethanamine is CNC(CC1CCOCC1)c1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-2-(oxan-4-yl)ethanamine?
The InChIKey is CTBGAWSQAUPACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-17-16(8-12-4-6-18-7-5-12)13-2-3-14-10-19-11-15(14)9-13/h2-3,9,12,16-17H,4-8,10-11H2,1H3.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-2-(oxan-4-yl)ethanamine?
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-2-(oxan-4-yl)ethanamine has a molecular weight of 261.36 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 115846765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).