N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(oxan-3-yl)methanamine

C16H21NO2 — CID 114729155

IUPACN-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(oxan-3-yl)methanamine
SMILESCNC(c1cc2cccc(C)c2o1)C1CCCOC1
InChIInChI=1S/C16H21NO2/c1-11-5-3-6-12-9-14(19-16(11)12)15(17-2)13-7-4-8-18-10-13/h3,5-6,9,13,15,17H,4,7-8,10H2,1-2H3
InChIKeyQSVNWBSNLVTCQA-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.43
Rot. Bonds3

About N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(oxan-3-yl)methanamine

N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(oxan-3-yl)methanamine (PubChem CID 114729155) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(oxan-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(oxan-3-yl)methanamine
PubChem CID114729155
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(oxan-3-yl)methanamine
SMILESCNC(c1cc2cccc(C)c2o1)C1CCCOC1
InChIInChI=1S/C16H21NO2/c1-11-5-3-6-12-9-14(19-16(11)12)15(17-2)13-7-4-8-18-10-13/h3,5-6,9,13,15,17H,4,7-8,10H2,1-2H3
InChIKeyQSVNWBSNLVTCQA-UHFFFAOYSA-N
XLogP3.43
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 114729233
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(3-methylcyclopentyl)methanamine
CID 114729277
1-(2-bromo-3-methylphenyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 114024257
1-(2,2-dimethylcyclopropyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 107005057
2-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 105045483
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(oxan-2-yl)ethanamine
CID 114730852
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 114730043
N-methyl-1-(5-methylfuran-3-yl)-1-(oxan-3-yl)methanamine
CID 107139171
[(2-methylphenyl)-(oxan-3-yl)methyl]hydrazine
CID 105229812
1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 102827463
1-(7-bromo-1-benzofuran-2-yl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
CID 105156231
[2-bicyclo[2.2.1]heptanyl-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105266605

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(oxan-3-yl)methanamine?
The IUPAC name of N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(oxan-3-yl)methanamine (CID 114729155) is N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(oxan-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(oxan-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(oxan-3-yl)methanamine is CNC(c1cc2cccc(C)c2o1)C1CCCOC1.
What is the InChIKey of N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(oxan-3-yl)methanamine?
The InChIKey is QSVNWBSNLVTCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-11-5-3-6-12-9-14(19-16(11)12)15(17-2)13-7-4-8-18-10-13/h3,5-6,9,13,15,17H,4,7-8,10H2,1-2H3.
What are the key properties of N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(oxan-3-yl)methanamine?
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(oxan-3-yl)methanamine has a molecular weight of 259.35 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(oxan-3-yl)methanamine is sourced from PubChem (CID 114729155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).