N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine

C17H21NO2 — CID 114728721

IUPACN-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
SMILESCNC(c1cc2cc(C)ccc2o1)C1CC2CCC1O2
InChIInChI=1S/C17H21NO2/c1-10-3-5-14-11(7-10)8-16(20-14)17(18-2)13-9-12-4-6-15(13)19-12/h3,5,7-8,12-13,15,17-18H,4,6,9H2,1-2H3
InChIKeyYXIOHQGDZJWTGZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.57
Rot. Bonds3

About N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine

N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine (PubChem CID 114728721) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
PubChem CID114728721
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
SMILESCNC(c1cc2cc(C)ccc2o1)C1CC2CCC1O2
InChIInChI=1S/C17H21NO2/c1-10-3-5-14-11(7-10)8-16(20-14)17(18-2)13-9-12-4-6-15(13)19-12/h3,5,7-8,12-13,15,17-18H,4,6,9H2,1-2H3
InChIKeyYXIOHQGDZJWTGZ-UHFFFAOYSA-N
XLogP3.57
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine with MolForge

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Related Compounds

1-(1-benzofuran-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 114728720
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
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-2-propylpentan-1-amine
CID 105045144
[(4-ethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105231380
N-[7-bicyclo[4.1.0]heptanyl-(5-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 105045128
N,5-dimethyl-1-benzofuran-2-amine
CID 123740126
[(5-methyl-1-benzofuran-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]hydrazine
CID 105338319
2-cyclohexylsulfanyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine
CID 114729027
1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 106465372
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-phenylmethanamine
CID 114727848

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine?
The IUPAC name of N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine (CID 114728721) is N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine is CNC(c1cc2cc(C)ccc2o1)C1CC2CCC1O2.
What is the InChIKey of N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine?
The InChIKey is YXIOHQGDZJWTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-10-3-5-14-11(7-10)8-16(20-14)17(18-2)13-9-12-4-6-15(13)19-12/h3,5,7-8,12-13,15,17-18H,4,6,9H2,1-2H3.
What are the key properties of N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine?
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine has a molecular weight of 271.36 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine is sourced from PubChem (CID 114728721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).