N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(oxan-2-yl)ethanamine

C17H23NO2 — CID 114730852

IUPACN-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(oxan-2-yl)ethanamine
SMILESCNC(CC1CCCCO1)c1cc2cccc(C)c2o1
InChIInChI=1S/C17H23NO2/c1-12-6-5-7-13-10-16(20-17(12)13)15(18-2)11-14-8-3-4-9-19-14/h5-7,10,14-15,18H,3-4,8-9,11H2,1-2H3
InChIKeyAKHVJSUKHXRTES-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.96
Rot. Bonds4

About N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(oxan-2-yl)ethanamine

N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(oxan-2-yl)ethanamine (PubChem CID 114730852) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(oxan-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(oxan-2-yl)ethanamine
PubChem CID114730852
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(oxan-2-yl)ethanamine
SMILESCNC(CC1CCCCO1)c1cc2cccc(C)c2o1
InChIInChI=1S/C17H23NO2/c1-12-6-5-7-13-10-16(20-17(12)13)15(18-2)11-14-8-3-4-9-19-14/h5-7,10,14-15,18H,3-4,8-9,11H2,1-2H3
InChIKeyAKHVJSUKHXRTES-UHFFFAOYSA-N
XLogP3.96
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 105045483
1-(1-benzofuran-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 55180087
1-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 114729233
1-(7-bromo-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine
CID 105139091
1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine
CID 105048647
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(oxan-3-yl)methanamine
CID 114729155
N-methyl-1-naphthalen-2-yl-2-(oxolan-2-yl)ethanamine
CID 55104166
1-(2,3-dichlorophenyl)-N-methyl-2-(oxan-2-yl)ethanamine
CID 113391584
N-methyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine
CID 102833757
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanamine
CID 114728964
2-cyclopropyl-N-ethyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 105045508
[1-(2-methylphenyl)-2-(oxan-2-yl)ethyl]hydrazine
CID 105267276

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(oxan-2-yl)ethanamine?
The IUPAC name of N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(oxan-2-yl)ethanamine (CID 114730852) is N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(oxan-2-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(oxan-2-yl)ethanamine?
The canonical SMILES for N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(oxan-2-yl)ethanamine is CNC(CC1CCCCO1)c1cc2cccc(C)c2o1.
What is the InChIKey of N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(oxan-2-yl)ethanamine?
The InChIKey is AKHVJSUKHXRTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12-6-5-7-13-10-16(20-17(12)13)15(18-2)11-14-8-3-4-9-19-14/h5-7,10,14-15,18H,3-4,8-9,11H2,1-2H3.
What are the key properties of N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(oxan-2-yl)ethanamine?
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(oxan-2-yl)ethanamine has a molecular weight of 273.38 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(oxan-2-yl)ethanamine is sourced from PubChem (CID 114730852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).