N-methyl-1-[6-[(2,3,6-trimethylphenoxy)methyl]-2-pyridinyl]methanamine

C17H22N2O — CID 106908199

IUPACN-methyl-1-[6-[(2,3,6-trimethylphenoxy)methyl]-2-pyridinyl]methanamine
SMILESCNCc1cccc(COc2c(C)ccc(C)c2C)n1
InChIInChI=1S/C17H22N2O/c1-12-8-9-13(2)17(14(12)3)20-11-16-7-5-6-15(19-16)10-18-4/h5-9,18H,10-11H2,1-4H3
InChIKeyFOAKSQAYNHQVGI-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.31
Rot. Bonds5

About N-methyl-1-[6-[(2,3,6-trimethylphenoxy)methyl]-2-pyridinyl]methanamine

N-methyl-1-[6-[(2,3,6-trimethylphenoxy)methyl]-2-pyridinyl]methanamine (PubChem CID 106908199) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-methyl-1-[6-[(2,3,6-trimethylphenoxy)methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-[(2,3,6-trimethylphenoxy)methyl]-2-pyridinyl]methanamine
PubChem CID106908199
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-methyl-1-[6-[(2,3,6-trimethylphenoxy)methyl]-2-pyridinyl]methanamine
SMILESCNCc1cccc(COc2c(C)ccc(C)c2C)n1
InChIInChI=1S/C17H22N2O/c1-12-8-9-13(2)17(14(12)3)20-11-16-7-5-6-15(19-16)10-18-4/h5-9,18H,10-11H2,1-4H3
InChIKeyFOAKSQAYNHQVGI-UHFFFAOYSA-N
XLogP3.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[6-[(2-methyl-5-propan-2-ylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908248
1-[6-[(2-fluorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
CID 106907979
1-[6-[(4-ethylphenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
CID 106907968
1-[6-[(2-bromo-4-methylphenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
CID 106908164
N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106907958
N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106907961
1-[6-[(2,4-dichlorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
CID 106908117
N-methyl-1-[5-(2,3,6-trimethylphenoxy)pyrazin-2-yl]methanamine
CID 107381984
4-[(2,3,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 28913056
1-[6-(fluoromethyl)-2-pyridinyl]-N-methylmethanamine
CID 84763498
N-methyl-1-[6-(quinolin-7-yloxymethyl)-2-pyridinyl]methanamine
CID 107315161
1-[6-(2,3-dihydro-1H-inden-5-yloxymethyl)-2-pyridinyl]-N-methylmethanamine
CID 106908170

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-[(2,3,6-trimethylphenoxy)methyl]-2-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[6-[(2,3,6-trimethylphenoxy)methyl]-2-pyridinyl]methanamine (CID 106908199) is N-methyl-1-[6-[(2,3,6-trimethylphenoxy)methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[6-[(2,3,6-trimethylphenoxy)methyl]-2-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[6-[(2,3,6-trimethylphenoxy)methyl]-2-pyridinyl]methanamine is CNCc1cccc(COc2c(C)ccc(C)c2C)n1.
What is the InChIKey of N-methyl-1-[6-[(2,3,6-trimethylphenoxy)methyl]-2-pyridinyl]methanamine?
The InChIKey is FOAKSQAYNHQVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12-8-9-13(2)17(14(12)3)20-11-16-7-5-6-15(19-16)10-18-4/h5-9,18H,10-11H2,1-4H3.
What are the key properties of N-methyl-1-[6-[(2,3,6-trimethylphenoxy)methyl]-2-pyridinyl]methanamine?
N-methyl-1-[6-[(2,3,6-trimethylphenoxy)methyl]-2-pyridinyl]methanamine has a molecular weight of 270.38 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-[(2,3,6-trimethylphenoxy)methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 106908199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).