1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methyl-2-(oxolan-2-yl)ethanamine

C17H25NO2 — CID 65156251

IUPAC1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
SMILESCNC(CC1CCCO1)c1ccc2c(c1)CC(C)(C)O2
InChIInChI=1S/C17H25NO2/c1-17(2)11-13-9-12(6-7-16(13)20-17)15(18-3)10-14-5-4-8-19-14/h6-7,9,14-15,18H,4-5,8,10-11H2,1-3H3
InChIKeyBHNOAHRSFBADLB-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.23
Rot. Bonds4

About 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methyl-2-(oxolan-2-yl)ethanamine

1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methyl-2-(oxolan-2-yl)ethanamine (PubChem CID 65156251) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methyl-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
PubChem CID65156251
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
SMILESCNC(CC1CCCO1)c1ccc2c(c1)CC(C)(C)O2
InChIInChI=1S/C17H25NO2/c1-17(2)11-13-9-12(6-7-16(13)20-17)15(18-3)10-14-5-4-8-19-14/h6-7,9,14-15,18H,4-5,8,10-11H2,1-3H3
InChIKeyBHNOAHRSFBADLB-UHFFFAOYSA-N
XLogP3.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-chloro-3-(oxan-2-yl)propyl]-2,2-dimethyl-3H-1-benzofuran
CID 63951987
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63015238
N-methyl-1-naphthalen-2-yl-2-(oxolan-2-yl)ethanamine
CID 55104166
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 62325970
N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(oxolan-2-yl)ethanamine
CID 65156028
1-cycloheptyl-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methylmethanamine
CID 63505070
1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 62797333
N-methyl-2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62791871
[1-(2,3-dihydro-1-benzofuran-5-yl)-2-(oxolan-2-yl)ethyl]hydrazine
CID 105198767
1-(3,4-dimethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 62550458
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-propylhexan-1-amine
CID 63506701
cyclopentyl-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
CID 55061675

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methyl-2-(oxolan-2-yl)ethanamine?
The IUPAC name of 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methyl-2-(oxolan-2-yl)ethanamine (CID 65156251) is 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methyl-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methyl-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methyl-2-(oxolan-2-yl)ethanamine is CNC(CC1CCCO1)c1ccc2c(c1)CC(C)(C)O2.
What is the InChIKey of 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methyl-2-(oxolan-2-yl)ethanamine?
The InChIKey is BHNOAHRSFBADLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-17(2)11-13-9-12(6-7-16(13)20-17)15(18-3)10-14-5-4-8-19-14/h6-7,9,14-15,18H,4-5,8,10-11H2,1-3H3.
What are the key properties of 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methyl-2-(oxolan-2-yl)ethanamine?
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methyl-2-(oxolan-2-yl)ethanamine has a molecular weight of 275.39 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methyl-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 65156251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).