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

C17H25NO2 — CID 107293658

IUPAC1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(oxan-2-yl)methanamine
SMILESCNC(c1ccc2c(c1)C(C)(C)CO2)C1CCCCO1
InChIInChI=1S/C17H25NO2/c1-17(2)11-20-14-8-7-12(10-13(14)17)16(18-3)15-6-4-5-9-19-15/h7-8,10,15-16,18H,4-6,9,11H2,1-3H3
InChIKeySYIPUOPMIXDJLA-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.19
Rot. Bonds3

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

1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(oxan-2-yl)methanamine (PubChem CID 107293658) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound Name1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(oxan-2-yl)methanamine
PubChem CID107293658
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(oxan-2-yl)methanamine
SMILESCNC(c1ccc2c(c1)C(C)(C)CO2)C1CCCCO1
InChIInChI=1S/C17H25NO2/c1-17(2)11-20-14-8-7-12(10-13(14)17)16(18-3)15-6-4-5-9-19-15/h7-8,10,15-16,18H,4-6,9,11H2,1-3H3
InChIKeySYIPUOPMIXDJLA-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 107293682
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 43482564
N-[cyclohexyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methyl]ethanamine
CID 107293750
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
CID 107293620
3-cyclopentyl-1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methylpropan-1-amine
CID 107293631
5-[1-bromo-3-(oxan-2-yl)propyl]-3,3-dimethyl-2H-1-benzofuran
CID 107294488
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3-(oxan-2-yl)propan-1-ol
CID 107294030
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(oxan-2-yl)methanamine
CID 107130447
N-methyl-1-(oxan-2-yl)-1-phenylmethanamine
CID 62213165
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 107293642
cycloheptyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
CID 107294029
cyclobutyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine
CID 107293439

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(oxan-2-yl)methanamine?
The IUPAC name of 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(oxan-2-yl)methanamine (CID 107293658) is 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(oxan-2-yl)methanamine.
What is the SMILES notation for 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(oxan-2-yl)methanamine?
The canonical SMILES for 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(oxan-2-yl)methanamine is CNC(c1ccc2c(c1)C(C)(C)CO2)C1CCCCO1.
What is the InChIKey of 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(oxan-2-yl)methanamine?
The InChIKey is SYIPUOPMIXDJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-17(2)11-20-14-8-7-12(10-13(14)17)16(18-3)15-6-4-5-9-19-15/h7-8,10,15-16,18H,4-6,9,11H2,1-3H3.
What are the key properties of 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(oxan-2-yl)methanamine?
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(oxan-2-yl)methanamine has a molecular weight of 275.39 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(oxan-2-yl)methanamine is sourced from PubChem (CID 107293658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).