N-methyl-1-[3-[(6-methyl-3-pyridinyl)oxymethyl]-1-benzofuran-2-yl]methanamine

C17H18N2O2 — CID 62442014

IUPACN-methyl-1-[3-[(6-methyl-3-pyridinyl)oxymethyl]-1-benzofuran-2-yl]methanamine
SMILESCNCc1oc2ccccc2c1COc1ccc(C)nc1
InChIInChI=1S/C17H18N2O2/c1-12-7-8-13(9-19-12)20-11-15-14-5-3-4-6-16(14)21-17(15)10-18-2/h3-9,18H,10-11H2,1-2H3
InChIKeyKKYHTCFERFRLKS-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.43
Rot. Bonds5

About N-methyl-1-[3-[(6-methyl-3-pyridinyl)oxymethyl]-1-benzofuran-2-yl]methanamine

N-methyl-1-[3-[(6-methyl-3-pyridinyl)oxymethyl]-1-benzofuran-2-yl]methanamine (PubChem CID 62442014) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-methyl-1-[3-[(6-methyl-3-pyridinyl)oxymethyl]-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[(6-methyl-3-pyridinyl)oxymethyl]-1-benzofuran-2-yl]methanamine
PubChem CID62442014
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-methyl-1-[3-[(6-methyl-3-pyridinyl)oxymethyl]-1-benzofuran-2-yl]methanamine
SMILESCNCc1oc2ccccc2c1COc1ccc(C)nc1
InChIInChI=1S/C17H18N2O2/c1-12-7-8-13(9-19-12)20-11-15-14-5-3-4-6-16(14)21-17(15)10-18-2/h3-9,18H,10-11H2,1-2H3
InChIKeyKKYHTCFERFRLKS-UHFFFAOYSA-N
XLogP3.43
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(pyridin-3-yloxymethyl)-1-benzofuran-2-yl]methanamine
CID 62452295
1-[2-[(3-fluorophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
CID 62458875
1-[2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
CID 62485686
N-methyl-1-[3-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62457094
N-methyl-1-[3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62485822
1-[2-(3,3-dimethylbutoxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
CID 66227085
N-methyl-1-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanamine
CID 62442813
[3-[(3,5-dimethylphenoxy)methyl]-1-benzofuran-2-yl]methanamine
CID 62453771
N-methyl-1-[3-(2-pyrrolidin-1-ylethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62459476
N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-3-yl]methanamine
CID 55072986
N-methyl-1-[2-[(4-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine
CID 62443561
N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]-N-propylpropan-1-amine
CID 62438010

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(6-methyl-3-pyridinyl)oxymethyl]-1-benzofuran-2-yl]methanamine?
The IUPAC name of N-methyl-1-[3-[(6-methyl-3-pyridinyl)oxymethyl]-1-benzofuran-2-yl]methanamine (CID 62442014) is N-methyl-1-[3-[(6-methyl-3-pyridinyl)oxymethyl]-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[(6-methyl-3-pyridinyl)oxymethyl]-1-benzofuran-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-[(6-methyl-3-pyridinyl)oxymethyl]-1-benzofuran-2-yl]methanamine is CNCc1oc2ccccc2c1COc1ccc(C)nc1.
What is the InChIKey of N-methyl-1-[3-[(6-methyl-3-pyridinyl)oxymethyl]-1-benzofuran-2-yl]methanamine?
The InChIKey is KKYHTCFERFRLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12-7-8-13(9-19-12)20-11-15-14-5-3-4-6-16(14)21-17(15)10-18-2/h3-9,18H,10-11H2,1-2H3.
What are the key properties of N-methyl-1-[3-[(6-methyl-3-pyridinyl)oxymethyl]-1-benzofuran-2-yl]methanamine?
N-methyl-1-[3-[(6-methyl-3-pyridinyl)oxymethyl]-1-benzofuran-2-yl]methanamine has a molecular weight of 282.34 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(6-methyl-3-pyridinyl)oxymethyl]-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 62442014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).