3-[amino-(4-bromo-2-methylphenyl)methyl]pyridin-4-amine

C13H14BrN3 — CID 103083620

IUPAC3-[amino-(4-bromo-2-methylphenyl)methyl]pyridin-4-amine
SMILESCc1cc(Br)ccc1C(N)c1cnccc1N
InChIInChI=1S/C13H14BrN3/c1-8-6-9(14)2-3-10(8)13(16)11-7-17-5-4-12(11)15/h2-7,13H,16H2,1H3,(H2,15,17)
InChIKeyATDQGOUSKLVRSR-UHFFFAOYSA-N
MW292.18 g/mol
LogP2.78
Rot. Bonds2

About 3-[amino-(4-bromo-2-methylphenyl)methyl]pyridin-4-amine

3-[amino-(4-bromo-2-methylphenyl)methyl]pyridin-4-amine (PubChem CID 103083620) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 3-[amino-(4-bromo-2-methylphenyl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[amino-(4-bromo-2-methylphenyl)methyl]pyridin-4-amine
PubChem CID103083620
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name3-[amino-(4-bromo-2-methylphenyl)methyl]pyridin-4-amine
SMILESCc1cc(Br)ccc1C(N)c1cnccc1N
InChIInChI=1S/C13H14BrN3/c1-8-6-9(14)2-3-10(8)13(16)11-7-17-5-4-12(11)15/h2-7,13H,16H2,1H3,(H2,15,17)
InChIKeyATDQGOUSKLVRSR-UHFFFAOYSA-N
XLogP2.78
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-bromo-2-methylphenyl)-(methylamino)methyl]pyridin-4-amine
CID 103083626
(4-bromo-2-methylphenyl)-isoquinolin-8-ylmethanamine
CID 103136741
(4-bromo-2-methylphenyl)-pyrimidin-5-ylmethanamine
CID 115827119
3-[amino-(3-methylfuran-2-yl)methyl]pyridin-4-amine
CID 104804566
(1R)-1-(4-bromo-2-methylphenyl)-2-methylpropan-1-amine
CID 96662464
1-(4-bromo-2-methylphenyl)-2-methylpropan-1-amine
CID 82477672
3-[(4-bromo-3,5-dimethylphenyl)-hydrazinylmethyl]pyridin-4-amine
CID 105279471
3-[(4-bromo-2-fluorophenyl)-hydrazinylmethyl]pyridin-4-amine
CID 105280899
(4-bromo-2-methylphenyl)-(3,4-dichlorophenyl)methanamine
CID 43629765
(4-bromothiophen-2-yl)-(4-methyl-3-pyridinyl)methanamine
CID 66273782
(4-bromo-2-methylphenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 115815769
(4-bromo-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046089

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(4-bromo-2-methylphenyl)methyl]pyridin-4-amine?
The IUPAC name of 3-[amino-(4-bromo-2-methylphenyl)methyl]pyridin-4-amine (CID 103083620) is 3-[amino-(4-bromo-2-methylphenyl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-[amino-(4-bromo-2-methylphenyl)methyl]pyridin-4-amine?
The canonical SMILES for 3-[amino-(4-bromo-2-methylphenyl)methyl]pyridin-4-amine is Cc1cc(Br)ccc1C(N)c1cnccc1N.
What is the InChIKey of 3-[amino-(4-bromo-2-methylphenyl)methyl]pyridin-4-amine?
The InChIKey is ATDQGOUSKLVRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-8-6-9(14)2-3-10(8)13(16)11-7-17-5-4-12(11)15/h2-7,13H,16H2,1H3,(H2,15,17).
What are the key properties of 3-[amino-(4-bromo-2-methylphenyl)methyl]pyridin-4-amine?
3-[amino-(4-bromo-2-methylphenyl)methyl]pyridin-4-amine has a molecular weight of 292.18 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(4-bromo-2-methylphenyl)methyl]pyridin-4-amine is sourced from PubChem (CID 103083620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).