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

C15H16BrFN2O — CID 83234904

IUPAC1-[2-(3-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1c(C)cc(C)nc1Oc1ccc(F)c(Br)c1
InChIInChI=1S/C15H16BrFN2O/c1-9-6-10(2)19-15(12(9)8-18-3)20-11-4-5-14(17)13(16)7-11/h4-7,18H,8H2,1-3H3
InChIKeyBSLASYUZIRLPLN-UHFFFAOYSA-N
MW339.21 g/mol
LogP4.11
Rot. Bonds4

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

1-[2-(3-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine (PubChem CID 83234904) has the molecular formula C15H16BrFN2O and a molecular weight of 339.21 g/mol. Its IUPAC name is 1-[2-(3-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
PubChem CID83234904
Molecular FormulaC15H16BrFN2O
Molecular Weight339.21 g/mol
Exact Mass338.04
IUPAC Name1-[2-(3-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1c(C)cc(C)nc1Oc1ccc(F)c(Br)c1
InChIInChI=1S/C15H16BrFN2O/c1-9-6-10(2)19-15(12(9)8-18-3)20-11-4-5-14(17)13(16)7-11/h4-7,18H,8H2,1-3H3
InChIKeyBSLASYUZIRLPLN-UHFFFAOYSA-N
XLogP4.11
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine (CID 83234904) is 1-[2-(3-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine is CNCc1c(C)cc(C)nc1Oc1ccc(F)c(Br)c1.
What is the InChIKey of 1-[2-(3-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine?
The InChIKey is BSLASYUZIRLPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O/c1-9-6-10(2)19-15(12(9)8-18-3)20-11-4-5-14(17)13(16)7-11/h4-7,18H,8H2,1-3H3.
What are the key properties of 1-[2-(3-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine?
1-[2-(3-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine has a molecular weight of 339.21 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 83234904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).