1-[2-[(3-bromo-2-pyridinyl)oxy]phenyl]-N-methylmethanamine

C13H13BrN2O — CID 106485270

IUPAC1-[2-[(3-bromo-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1Oc1ncccc1Br
InChIInChI=1S/C13H13BrN2O/c1-15-9-10-5-2-3-7-12(10)17-13-11(14)6-4-8-16-13/h2-8,15H,9H2,1H3
InChIKeyXNQGQHOSOAKUHY-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.36
Rot. Bonds4

About 1-[2-[(3-bromo-2-pyridinyl)oxy]phenyl]-N-methylmethanamine

1-[2-[(3-bromo-2-pyridinyl)oxy]phenyl]-N-methylmethanamine (PubChem CID 106485270) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 1-[2-[(3-bromo-2-pyridinyl)oxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(3-bromo-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
PubChem CID106485270
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name1-[2-[(3-bromo-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1Oc1ncccc1Br
InChIInChI=1S/C13H13BrN2O/c1-15-9-10-5-2-3-7-12(10)17-13-11(14)6-4-8-16-13/h2-8,15H,9H2,1H3
InChIKeyXNQGQHOSOAKUHY-UHFFFAOYSA-N
XLogP3.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2-bromophenyl)methoxy]-3-pyridinyl]-N-methylmethanamine
CID 82831764
1-[2-[2-(2-bromophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62450311
3-bromo-2-(2-methoxyphenoxy)pyridine
CID 61375067
1-[2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]-N-methylmethanamine
CID 106998413
N-methyl-1-(2-phenoxy-3-pyridinyl)methanamine
CID 53185088
[2-(2-bromophenoxy)-3-pyridinyl]methanol
CID 61256696
N-methyl-1-(2-quinolin-8-yloxy-3-pyridinyl)methanamine
CID 62322209
1-[2-(2-butan-2-ylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62322019
1-[2-(2-ethylphenoxy)phenyl]-N-methylmethanamine
CID 43283795
1-[2-[(2-chloro-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine
CID 106484619
N-methyl-1-(2-pyrazin-2-yloxyphenyl)methanamine
CID 106485481
1-tert-butyl-3-[2-(methylaminomethyl)phenoxy]pyrazin-2-one
CID 106485544

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-bromo-2-pyridinyl)oxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(3-bromo-2-pyridinyl)oxy]phenyl]-N-methylmethanamine (CID 106485270) is 1-[2-[(3-bromo-2-pyridinyl)oxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(3-bromo-2-pyridinyl)oxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(3-bromo-2-pyridinyl)oxy]phenyl]-N-methylmethanamine is CNCc1ccccc1Oc1ncccc1Br.
What is the InChIKey of 1-[2-[(3-bromo-2-pyridinyl)oxy]phenyl]-N-methylmethanamine?
The InChIKey is XNQGQHOSOAKUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-15-9-10-5-2-3-7-12(10)17-13-11(14)6-4-8-16-13/h2-8,15H,9H2,1H3.
What are the key properties of 1-[2-[(3-bromo-2-pyridinyl)oxy]phenyl]-N-methylmethanamine?
1-[2-[(3-bromo-2-pyridinyl)oxy]phenyl]-N-methylmethanamine has a molecular weight of 293.16 g/mol, XLogP of 3.36, 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-2-pyridinyl)oxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 106485270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).