1-[4-(5-bromo-2-chlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine

C14H14BrClN2O — CID 81251035

IUPAC1-[4-(5-bromo-2-chlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnc(C)cc1Oc1cc(Br)ccc1Cl
InChIInChI=1S/C14H14BrClN2O/c1-9-5-13(10(7-17-2)8-18-9)19-14-6-11(15)3-4-12(14)16/h3-6,8,17H,7H2,1-2H3
InChIKeyCNBXZUXKYQUQKF-UHFFFAOYSA-N
MW341.64 g/mol
LogP4.32
Rot. Bonds4

About 1-[4-(5-bromo-2-chlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine

1-[4-(5-bromo-2-chlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine (PubChem CID 81251035) has the molecular formula C14H14BrClN2O and a molecular weight of 341.64 g/mol. Its IUPAC name is 1-[4-(5-bromo-2-chlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(5-bromo-2-chlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine
PubChem CID81251035
Molecular FormulaC14H14BrClN2O
Molecular Weight341.64 g/mol
Exact Mass340.00
IUPAC Name1-[4-(5-bromo-2-chlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnc(C)cc1Oc1cc(Br)ccc1Cl
InChIInChI=1S/C14H14BrClN2O/c1-9-5-13(10(7-17-2)8-18-9)19-14-6-11(15)3-4-12(14)16/h3-6,8,17H,7H2,1-2H3
InChIKeyCNBXZUXKYQUQKF-UHFFFAOYSA-N
XLogP4.32
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.64
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3,4-dichlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81250238
1-[2-(5-bromo-2-chlorophenoxy)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114928707
1-[4-(5-bromo-2-chlorophenoxy)-3-chlorophenyl]-N-methylmethanamine
CID 81154583
4-(5-bromo-2-chlorophenoxy)-6-methylpyridine-3-carboxylic acid
CID 81225762
N-[[4-(2,5-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81254374
1-[4-(2-fluorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81250425
1-(4-methoxy-6-methyl-3-pyridinyl)-N-methylmethanamine
CID 81254703
[4-(5-bromo-2-methylphenoxy)-6-methyl-3-pyridinyl]methanol
CID 107285369
1-(4-ethoxy-6-methyl-3-pyridinyl)-N-methylmethanamine
CID 81253005
N-[[4-(4-bromophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81250499
N-methyl-1-[6-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methanamine
CID 106597823
1-[4-bromo-2-(4-chloro-2,6-dimethylphenoxy)phenyl]-N-methylmethanamine
CID 43282565

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-bromo-2-chlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(5-bromo-2-chlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine (CID 81251035) is 1-[4-(5-bromo-2-chlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(5-bromo-2-chlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(5-bromo-2-chlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine is CNCc1cnc(C)cc1Oc1cc(Br)ccc1Cl.
What is the InChIKey of 1-[4-(5-bromo-2-chlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine?
The InChIKey is CNBXZUXKYQUQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O/c1-9-5-13(10(7-17-2)8-18-9)19-14-6-11(15)3-4-12(14)16/h3-6,8,17H,7H2,1-2H3.
What are the key properties of 1-[4-(5-bromo-2-chlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine?
1-[4-(5-bromo-2-chlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine has a molecular weight of 341.64 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-bromo-2-chlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 81251035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).