2-[(3-bromophenyl)methoxy]-5-methylpyridin-4-amine

C13H13BrN2O — CID 83270095

IUPAC2-[(3-bromophenyl)methoxy]-5-methylpyridin-4-amine
SMILESCc1cnc(OCc2cccc(Br)c2)cc1N
InChIInChI=1S/C13H13BrN2O/c1-9-7-16-13(6-12(9)15)17-8-10-3-2-4-11(14)5-10/h2-7H,8H2,1H3,(H2,15,16)
InChIKeyVYAMOEYCVVTDQE-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.31
Rot. Bonds3

About 2-[(3-bromophenyl)methoxy]-5-methylpyridin-4-amine

2-[(3-bromophenyl)methoxy]-5-methylpyridin-4-amine (PubChem CID 83270095) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methoxy]-5-methylpyridin-4-amine.

Molecular Properties

Compound Name2-[(3-bromophenyl)methoxy]-5-methylpyridin-4-amine
PubChem CID83270095
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name2-[(3-bromophenyl)methoxy]-5-methylpyridin-4-amine
SMILESCc1cnc(OCc2cccc(Br)c2)cc1N
InChIInChI=1S/C13H13BrN2O/c1-9-7-16-13(6-12(9)15)17-8-10-3-2-4-11(14)5-10/h2-7H,8H2,1H3,(H2,15,16)
InChIKeyVYAMOEYCVVTDQE-UHFFFAOYSA-N
XLogP3.31
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-bromophenyl)methoxy]-2-methylaniline
CID 43437900
6-[(3-bromophenyl)methoxy]pyrimidin-4-amine
CID 82825459
6-[(3-bromophenyl)methoxy]-2-methoxypyridin-3-amine
CID 82827567
5-[(3-bromophenyl)methoxy]pyrazine-2-carbothioamide
CID 82827307
6-[(3-bromophenyl)methoxy]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
CID 82804375
[2-[(3-bromophenyl)methoxy]-4-methyl-3-pyridinyl]methanamine
CID 82827715
5-[(3-bromophenyl)methoxy]pyrazine-2-carboximidamide
CID 82824608
6-[(3-bromophenyl)methoxy]pyridine-3-carboximidamide
CID 82824834
6-[(3-bromophenyl)methoxy]-3-(chloromethyl)-2-methylpyridine
CID 82831791
[6-[(3-bromophenyl)methoxy]-2-methyl-3-pyridinyl]methanol
CID 82832022
5-[(3-bromophenyl)methoxy]-1,3-dimethylpyrazol-4-amine
CID 82828534
4-[(3-bromophenyl)methoxy]-N-ethyl-6-methylpyrimidin-2-amine
CID 82826004

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methoxy]-5-methylpyridin-4-amine?
The IUPAC name of 2-[(3-bromophenyl)methoxy]-5-methylpyridin-4-amine (CID 83270095) is 2-[(3-bromophenyl)methoxy]-5-methylpyridin-4-amine.
What is the SMILES notation for 2-[(3-bromophenyl)methoxy]-5-methylpyridin-4-amine?
The canonical SMILES for 2-[(3-bromophenyl)methoxy]-5-methylpyridin-4-amine is Cc1cnc(OCc2cccc(Br)c2)cc1N.
What is the InChIKey of 2-[(3-bromophenyl)methoxy]-5-methylpyridin-4-amine?
The InChIKey is VYAMOEYCVVTDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-9-7-16-13(6-12(9)15)17-8-10-3-2-4-11(14)5-10/h2-7H,8H2,1H3,(H2,15,16).
What are the key properties of 2-[(3-bromophenyl)methoxy]-5-methylpyridin-4-amine?
2-[(3-bromophenyl)methoxy]-5-methylpyridin-4-amine has a molecular weight of 293.16 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methoxy]-5-methylpyridin-4-amine is sourced from PubChem (CID 83270095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).