1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methyl-1-(oxan-3-yl)methanamine

C17H25NO2 — CID 63015238

IUPAC1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methyl-1-(oxan-3-yl)methanamine
SMILESCNC(c1ccc2c(c1)CC(C)(C)O2)C1CCCOC1
InChIInChI=1S/C17H25NO2/c1-17(2)10-14-9-12(6-7-15(14)20-17)16(18-3)13-5-4-8-19-11-13/h6-7,9,13,16,18H,4-5,8,10-11H2,1-3H3
InChIKeyCPUQITOBZAOFJF-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.09
Rot. Bonds3

About 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methyl-1-(oxan-3-yl)methanamine

1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methyl-1-(oxan-3-yl)methanamine (PubChem CID 63015238) 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-1-(oxan-3-yl)methanamine.

Molecular Properties

Compound Name1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methyl-1-(oxan-3-yl)methanamine
PubChem CID63015238
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methyl-1-(oxan-3-yl)methanamine
SMILESCNC(c1ccc2c(c1)CC(C)(C)O2)C1CCCOC1
InChIInChI=1S/C17H25NO2/c1-17(2)10-14-9-12(6-7-15(14)20-17)16(18-3)13-5-4-8-19-11-13/h6-7,9,13,16,18H,4-5,8,10-11H2,1-3H3
InChIKeyCPUQITOBZAOFJF-UHFFFAOYSA-N
XLogP3.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cycloheptyl-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methylmethanamine
CID 63505070
(2,2-dimethyl-3H-1-benzofuran-5-yl)-(oxolan-3-yl)methanol
CID 62325620
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 65156251
cyclopentyl-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
CID 55061675
7-[methylamino(oxan-3-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 63012708
1-(4-tert-butylphenyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63012550
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 107289018
7-[methylamino(oxan-3-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 104525855
N-methyl-1-(5-methylfuran-3-yl)-1-(oxan-3-yl)methanamine
CID 107139171
(2,2-dimethyl-3H-1-benzofuran-5-yl)-(1,4-dioxan-2-yl)methanamine
CID 62804713
N-methyl-1-(oxan-3-yl)-1-pyridazin-4-ylmethanamine
CID 107138816
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 62325970

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methyl-1-(oxan-3-yl)methanamine?
The IUPAC name of 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methyl-1-(oxan-3-yl)methanamine (CID 63015238) is 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methyl-1-(oxan-3-yl)methanamine.
What is the SMILES notation for 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methyl-1-(oxan-3-yl)methanamine?
The canonical SMILES for 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methyl-1-(oxan-3-yl)methanamine is CNC(c1ccc2c(c1)CC(C)(C)O2)C1CCCOC1.
What is the InChIKey of 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methyl-1-(oxan-3-yl)methanamine?
The InChIKey is CPUQITOBZAOFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-17(2)10-14-9-12(6-7-15(14)20-17)16(18-3)13-5-4-8-19-11-13/h6-7,9,13,16,18H,4-5,8,10-11H2,1-3H3.
What are the key properties of 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methyl-1-(oxan-3-yl)methanamine?
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methyl-1-(oxan-3-yl)methanamine has a molecular weight of 275.39 g/mol, XLogP of 3.09, 3 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-1-(oxan-3-yl)methanamine is sourced from PubChem (CID 63015238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).