1-[6-[(2-bromo-4-methylphenoxy)methyl]-2-pyridinyl]-N-methylmethanamine

C15H17BrN2O — CID 106908164

IUPAC1-[6-[(2-bromo-4-methylphenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1cccc(COc2ccc(C)cc2Br)n1
InChIInChI=1S/C15H17BrN2O/c1-11-6-7-15(14(16)8-11)19-10-13-5-3-4-12(18-13)9-17-2/h3-8,17H,9-10H2,1-2H3
InChIKeyLCYPCZFCRPOHLQ-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.45
Rot. Bonds5

About 1-[6-[(2-bromo-4-methylphenoxy)methyl]-2-pyridinyl]-N-methylmethanamine

1-[6-[(2-bromo-4-methylphenoxy)methyl]-2-pyridinyl]-N-methylmethanamine (PubChem CID 106908164) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 1-[6-[(2-bromo-4-methylphenoxy)methyl]-2-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-[(2-bromo-4-methylphenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
PubChem CID106908164
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name1-[6-[(2-bromo-4-methylphenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1cccc(COc2ccc(C)cc2Br)n1
InChIInChI=1S/C15H17BrN2O/c1-11-6-7-15(14(16)8-11)19-10-13-5-3-4-12(18-13)9-17-2/h3-8,17H,9-10H2,1-2H3
InChIKeyLCYPCZFCRPOHLQ-UHFFFAOYSA-N
XLogP3.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-[(2-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
CID 106908545
1-[6-[(2,4-dichlorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
CID 106908117
N-[[6-[(2,4-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106907945
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
N-[[6-[(2-chloro-5-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
CID 106908205
N-[[6-[(2,4-dibromophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908411
[6-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908648
1-[2-[(2-bromo-4-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 62460344
1-[3-[2-(2-bromo-4-methylphenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62460354
N-methyl-1-[6-[(2,3,6-trimethylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908199
N-[[3-bromo-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine
CID 79262649

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2-bromo-4-methylphenoxy)methyl]-2-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[6-[(2-bromo-4-methylphenoxy)methyl]-2-pyridinyl]-N-methylmethanamine (CID 106908164) is 1-[6-[(2-bromo-4-methylphenoxy)methyl]-2-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-[(2-bromo-4-methylphenoxy)methyl]-2-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[6-[(2-bromo-4-methylphenoxy)methyl]-2-pyridinyl]-N-methylmethanamine is CNCc1cccc(COc2ccc(C)cc2Br)n1.
What is the InChIKey of 1-[6-[(2-bromo-4-methylphenoxy)methyl]-2-pyridinyl]-N-methylmethanamine?
The InChIKey is LCYPCZFCRPOHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-11-6-7-15(14(16)8-11)19-10-13-5-3-4-12(18-13)9-17-2/h3-8,17H,9-10H2,1-2H3.
What are the key properties of 1-[6-[(2-bromo-4-methylphenoxy)methyl]-2-pyridinyl]-N-methylmethanamine?
1-[6-[(2-bromo-4-methylphenoxy)methyl]-2-pyridinyl]-N-methylmethanamine has a molecular weight of 321.22 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2-bromo-4-methylphenoxy)methyl]-2-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 106908164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).