1-(1-benzofuran-3-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine

C15H17NO2 — CID 113370643

IUPAC1-(1-benzofuran-3-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
SMILESCNC(C1=COCCC1)c1coc2ccccc12
InChIInChI=1S/C15H17NO2/c1-16-15(11-5-4-8-17-9-11)13-10-18-14-7-3-2-6-12(13)14/h2-3,6-7,9-10,15-16H,4-5,8H2,1H3
InChIKeyGBYREKIGVFGIAQ-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.39
Rot. Bonds3

About 1-(1-benzofuran-3-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine

1-(1-benzofuran-3-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine (PubChem CID 113370643) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
PubChem CID113370643
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-(1-benzofuran-3-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
SMILESCNC(C1=COCCC1)c1coc2ccccc12
InChIInChI=1S/C15H17NO2/c1-16-15(11-5-4-8-17-9-11)13-10-18-14-7-3-2-6-12(13)14/h2-3,6-7,9-10,15-16H,4-5,8H2,1H3
InChIKeyGBYREKIGVFGIAQ-UHFFFAOYSA-N
XLogP3.39
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-3-methylphenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
CID 107985362
1-(3,4-dihydro-2H-pyran-5-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 105033185
N-[1-benzofuran-3-yl-[(1E)-cycloocten-1-yl]methyl]ethanamine
CID 106654255
[1-benzofuran-3-yl(cyclohepten-1-yl)methyl]hydrazine
CID 106649457
1-(4-chloro-2,5-difluorophenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
CID 105033221
1-(1-benzofuran-3-yl)-1-(3-bromo-2,6-difluorophenyl)-N-methylmethanamine
CID 106942961
N-[3,4-dihydro-2H-pyran-5-yl-(2-methylphenyl)methyl]ethanamine
CID 113370529
[3,4-dihydro-2H-pyran-5-yl-(2-methylsulfanylphenyl)methyl]hydrazine
CID 105333174
1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N-methylethanamine
CID 116961416
1-(3-chloro-4-methylphenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
CID 105033548
1-(3-bromo-4-methylphenyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
CID 105033416
1-(1-benzofuran-3-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
CID 104738663

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-benzofuran-3-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine (CID 113370643) is 1-(1-benzofuran-3-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-benzofuran-3-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine is CNC(C1=COCCC1)c1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine?
The InChIKey is GBYREKIGVFGIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-16-15(11-5-4-8-17-9-11)13-10-18-14-7-3-2-6-12(13)14/h2-3,6-7,9-10,15-16H,4-5,8H2,1H3.
What are the key properties of 1-(1-benzofuran-3-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine?
1-(1-benzofuran-3-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine has a molecular weight of 243.31 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine is sourced from PubChem (CID 113370643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).