1-(1-benzofuran-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine

C16H19NO2 — CID 114728720

IUPAC1-(1-benzofuran-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
SMILESCNC(c1cc2ccccc2o1)C1CC2CCC1O2
InChIInChI=1S/C16H19NO2/c1-17-16(12-9-11-6-7-14(12)18-11)15-8-10-4-2-3-5-13(10)19-15/h2-5,8,11-12,14,16-17H,6-7,9H2,1H3
InChIKeyXPEGSUSXRVUVKM-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.26
Rot. Bonds3

About 1-(1-benzofuran-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine

1-(1-benzofuran-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine (PubChem CID 114728720) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
PubChem CID114728720
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name1-(1-benzofuran-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
SMILESCNC(c1cc2ccccc2o1)C1CC2CCC1O2
InChIInChI=1S/C16H19NO2/c1-17-16(12-9-11-6-7-14(12)18-11)15-8-10-4-2-3-5-13(10)19-15/h2-5,8,11-12,14,16-17H,6-7,9H2,1H3
InChIKeyXPEGSUSXRVUVKM-UHFFFAOYSA-N
XLogP3.26
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-benzofuran-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine with MolForge

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Related Compounds

N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 114728721
N-[(5-fluoro-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]ethanamine
CID 114728732
N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-(2,4,5-trimethylphenyl)methanamine
CID 64990064
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 79705419
1-(1-benzofuran-2-yl)-N-methyl-1-(1,4-oxathian-2-yl)methanamine
CID 114730013
1-(1-benzofuran-2-yl)-2,2-difluoro-N-methylethanamine
CID 103759858
(7-methyl-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol
CID 114726549
[1-benzofuran-2-yl(cyclobutyl)methyl]hydrazine
CID 105218447
N-[1-benzofuran-2-yl-(2-ethylcyclohexyl)methyl]ethanamine
CID 63863656
1-(1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine
CID 79444773
N-[1-(1-benzofuran-2-yl)ethyl]cyclopropanamine
CID 18071242
N-[1-benzofuran-2-yl(cyclooctyl)methyl]ethanamine
CID 114730295

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine (CID 114728720) is 1-(1-benzofuran-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine is CNC(c1cc2ccccc2o1)C1CC2CCC1O2.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine?
The InChIKey is XPEGSUSXRVUVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-17-16(12-9-11-6-7-14(12)18-11)15-8-10-4-2-3-5-13(10)19-15/h2-5,8,11-12,14,16-17H,6-7,9H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine?
1-(1-benzofuran-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine has a molecular weight of 257.33 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine is sourced from PubChem (CID 114728720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).