1-[2-(3,4-dimethylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine

C17H22N2O — CID 62296968

IUPAC1-[2-(3,4-dimethylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1c(C)cc(C)nc1Oc1ccc(C)c(C)c1
InChIInChI=1S/C17H22N2O/c1-11-6-7-15(9-12(11)2)20-17-16(10-18-5)13(3)8-14(4)19-17/h6-9,18H,10H2,1-5H3
InChIKeyWFTSRLJMFFQVPX-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.83
Rot. Bonds4

About 1-[2-(3,4-dimethylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine

1-[2-(3,4-dimethylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine (PubChem CID 62296968) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3,4-dimethylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
PubChem CID62296968
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-[2-(3,4-dimethylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1c(C)cc(C)nc1Oc1ccc(C)c(C)c1
InChIInChI=1S/C17H22N2O/c1-11-6-7-15(9-12(11)2)20-17-16(10-18-5)13(3)8-14(4)19-17/h6-9,18H,10H2,1-5H3
InChIKeyWFTSRLJMFFQVPX-UHFFFAOYSA-N
XLogP3.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3,4-dimethylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine (CID 62296968) is 1-[2-(3,4-dimethylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3,4-dimethylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3,4-dimethylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine is CNCc1c(C)cc(C)nc1Oc1ccc(C)c(C)c1.
What is the InChIKey of 1-[2-(3,4-dimethylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine?
The InChIKey is WFTSRLJMFFQVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-11-6-7-15(9-12(11)2)20-17-16(10-18-5)13(3)8-14(4)19-17/h6-9,18H,10H2,1-5H3.
What are the key properties of 1-[2-(3,4-dimethylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine?
1-[2-(3,4-dimethylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 62296968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).