[6-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine

C13H13BrN2O — CID 82828442

IUPAC[6-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine
SMILESNCc1ccc(OCc2ccccc2Br)nc1
InChIInChI=1S/C13H13BrN2O/c14-12-4-2-1-3-11(12)9-17-13-6-5-10(7-15)8-16-13/h1-6,8H,7,9,15H2
InChIKeyBERUZCKEYZCFJR-UHFFFAOYSA-N
MW293.16 g/mol
LogP2.88
Rot. Bonds4

About [6-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine

[6-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine (PubChem CID 82828442) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is [6-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine
PubChem CID82828442
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name[6-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine
SMILESNCc1ccc(OCc2ccccc2Br)nc1
InChIInChI=1S/C13H13BrN2O/c14-12-4-2-1-3-11(12)9-17-13-6-5-10(7-15)8-16-13/h1-6,8H,7,9,15H2
InChIKeyBERUZCKEYZCFJR-UHFFFAOYSA-N
XLogP2.88
TPSA48.14 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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[(2-bromophenyl)methoxy]pyridine
CID 82832179
[6-[(2-bromophenyl)methoxy]-2-pyridinyl]methanamine
CID 82828361
2-[(2-bromophenyl)methoxy]pyridine
CID 24799165
[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]methanamine
CID 146194190
[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methanamine
CID 82828276
[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine
CID 82828202
5-(chloromethyl)-2-[(2-chlorophenyl)methoxy]pyridine
CID 61255794
[3-[(2-bromophenyl)methoxy]pyrazin-2-yl]methanamine
CID 82827554
[4-[3-[(2-bromophenyl)methoxy]propoxy]phenyl]methanamine
CID 82805144
2-[(2-bromophenyl)methoxy]aniline
CID 11208190
[2-[(2-bromophenyl)methoxy]-4-methylpyrimidin-5-yl]methanamine
CID 83195620
(6-bromo-3-pyridinyl)methanamine
CID 22450529

Frequently Asked Questions

What is the IUPAC name of [6-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine?
The IUPAC name of [6-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine (CID 82828442) is [6-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine.
What is the SMILES notation for [6-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine?
The canonical SMILES for [6-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine is NCc1ccc(OCc2ccccc2Br)nc1.
What is the InChIKey of [6-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine?
The InChIKey is BERUZCKEYZCFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c14-12-4-2-1-3-11(12)9-17-13-6-5-10(7-15)8-16-13/h1-6,8H,7,9,15H2.
What are the key properties of [6-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine?
[6-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine has a molecular weight of 293.16 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine is sourced from PubChem (CID 82828442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).