2-(3-bromo-5-methyl-4-pyridinyl)-N-methylethanamine

C9H13BrN2 — CID 84692427

IUPAC2-(3-bromo-5-methyl-4-pyridinyl)-N-methylethanamine
SMILESCNCCc1c(C)cncc1Br
InChIInChI=1S/C9H13BrN2/c1-7-5-12-6-9(10)8(7)3-4-11-2/h5-6,11H,3-4H2,1-2H3
InChIKeyOGOSCQGKQQINNX-UHFFFAOYSA-N
MW229.12 g/mol
LogP1.91
Rot. Bonds3

About 2-(3-bromo-5-methyl-4-pyridinyl)-N-methylethanamine

2-(3-bromo-5-methyl-4-pyridinyl)-N-methylethanamine (PubChem CID 84692427) has the molecular formula C9H13BrN2 and a molecular weight of 229.12 g/mol. Its IUPAC name is 2-(3-bromo-5-methyl-4-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-methyl-4-pyridinyl)-N-methylethanamine
PubChem CID84692427
Molecular FormulaC9H13BrN2
Molecular Weight229.12 g/mol
Exact Mass228.03
IUPAC Name2-(3-bromo-5-methyl-4-pyridinyl)-N-methylethanamine
SMILESCNCCc1c(C)cncc1Br
InChIInChI=1S/C9H13BrN2/c1-7-5-12-6-9(10)8(7)3-4-11-2/h5-6,11H,3-4H2,1-2H3
InChIKeyOGOSCQGKQQINNX-UHFFFAOYSA-N
XLogP1.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-methyl-4-pyridinyl)-N-methylmethanamine
CID 84680762
3-bromo-6-methyl-2-[2-(methylamino)ethyl]phenol
CID 84802437
3-(2-bromo-6-methylphenyl)-N-methylpropan-1-amine
CID 84737080
2-bromo-3,5-dimethyl-6-[2-(methylamino)ethyl]phenol
CID 84709440
N-methyl-2-(5-methyl-3-pyridinyl)ethanamine
CID 82594770
N-methyl-2-(4-methylisoquinolin-7-yl)ethanamine
CID 117289513
(E)-3-(3,5-dibromo-4-pyridinyl)-N-methylprop-2-en-1-amine
CID 131239019
3-(3,5-dibromo-4-pyridinyl)-N-methylprop-2-en-1-amine
CID 169474904
N-(3-bromo-5-methyl-4-pyridinyl)-2-chloroacetamide
CID 15087754
2-(2-bromo-3,6-dimethoxy-4-methylphenyl)-N-methylethanamine
CID 117465308
2-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62162541
3-bromo-5-chloro-2-[2-(methylamino)ethyl]phenol
CID 84807446

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-methyl-4-pyridinyl)-N-methylethanamine?
The IUPAC name of 2-(3-bromo-5-methyl-4-pyridinyl)-N-methylethanamine (CID 84692427) is 2-(3-bromo-5-methyl-4-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromo-5-methyl-4-pyridinyl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromo-5-methyl-4-pyridinyl)-N-methylethanamine is CNCCc1c(C)cncc1Br.
What is the InChIKey of 2-(3-bromo-5-methyl-4-pyridinyl)-N-methylethanamine?
The InChIKey is OGOSCQGKQQINNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2/c1-7-5-12-6-9(10)8(7)3-4-11-2/h5-6,11H,3-4H2,1-2H3.
What are the key properties of 2-(3-bromo-5-methyl-4-pyridinyl)-N-methylethanamine?
2-(3-bromo-5-methyl-4-pyridinyl)-N-methylethanamine has a molecular weight of 229.12 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-methyl-4-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 84692427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).