1-[5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine

C15H16BrClN2O — CID 62322244

IUPAC1-[5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(Br)cnc1Oc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C15H16BrClN2O/c1-9-4-13(5-10(2)14(9)17)20-15-11(7-18-3)6-12(16)8-19-15/h4-6,8,18H,7H2,1-3H3
InChIKeyXMWBRMXXUNMWDU-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.63
Rot. Bonds4

About 1-[5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine

1-[5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine (PubChem CID 62322244) has the molecular formula C15H16BrClN2O and a molecular weight of 355.66 g/mol. Its IUPAC name is 1-[5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine
PubChem CID62322244
Molecular FormulaC15H16BrClN2O
Molecular Weight355.66 g/mol
Exact Mass354.01
IUPAC Name1-[5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(Br)cnc1Oc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C15H16BrClN2O/c1-9-4-13(5-10(2)14(9)17)20-15-11(7-18-3)6-12(16)8-19-15/h4-6,8,18H,7H2,1-3H3
InChIKeyXMWBRMXXUNMWDU-UHFFFAOYSA-N
XLogP4.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.66
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine (CID 62322244) is 1-[5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine is CNCc1cc(Br)cnc1Oc1cc(C)c(Cl)c(C)c1.
What is the InChIKey of 1-[5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is XMWBRMXXUNMWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2O/c1-9-4-13(5-10(2)14(9)17)20-15-11(7-18-3)6-12(16)8-19-15/h4-6,8,18H,7H2,1-3H3.
What are the key properties of 1-[5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine?
1-[5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine has a molecular weight of 355.66 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(4-chloro-3,5-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 62322244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).