N-[(5-bromo-2-pyridinyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine

C15H18BrN3 — CID 113254240

IUPACN-[(5-bromo-2-pyridinyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
SMILESCCN(Cc1ccc(Br)cn1)Cc1cccc(C)n1
InChIInChI=1S/C15H18BrN3/c1-3-19(10-14-8-7-13(16)9-17-14)11-15-6-4-5-12(2)18-15/h4-9H,3,10-11H2,1-2H3
InChIKeyXIMNHSLZOFNOQJ-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.57
Rot. Bonds5

About N-[(5-bromo-2-pyridinyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine

N-[(5-bromo-2-pyridinyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine (PubChem CID 113254240) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is N-[(5-bromo-2-pyridinyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-pyridinyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
PubChem CID113254240
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC NameN-[(5-bromo-2-pyridinyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
SMILESCCN(Cc1ccc(Br)cn1)Cc1cccc(C)n1
InChIInChI=1S/C15H18BrN3/c1-3-19(10-14-8-7-13(16)9-17-14)11-15-6-4-5-12(2)18-15/h4-9H,3,10-11H2,1-2H3
InChIKeyXIMNHSLZOFNOQJ-UHFFFAOYSA-N
XLogP3.57
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-pyridinyl)methyl]-N-ethylbutan-1-amine
CID 115622533
N-[(6-chloropyridazin-3-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 104513798
(2S)-1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-2-ol
CID 103935273
N,N'-diethyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 79267272
1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-methylbutan-2-ol
CID 114495745
N,N-diethylethanamine;2,6-dimethylpyridine
CID 90016440
2-[(5-bromo-2-pyridinyl)methyl-propylamino]ethanol
CID 115622576
2-methyl-6-[2-(5-methyl-2-pyridinyl)ethyl]pyridine
CID 130440766
1-[3-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N,N-bis[(6-methyl-2-pyridinyl)methyl]methanamine
CID 11607609
[6-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methanol
CID 102022866
2-[2-(aminomethyl)phenyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 81314059
N-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine
CID 19046925

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine (CID 113254240) is N-[(5-bromo-2-pyridinyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-2-pyridinyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-2-pyridinyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine is CCN(Cc1ccc(Br)cn1)Cc1cccc(C)n1.
What is the InChIKey of N-[(5-bromo-2-pyridinyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is XIMNHSLZOFNOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-3-19(10-14-8-7-13(16)9-17-14)11-15-6-4-5-12(2)18-15/h4-9H,3,10-11H2,1-2H3.
What are the key properties of N-[(5-bromo-2-pyridinyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine?
N-[(5-bromo-2-pyridinyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine has a molecular weight of 320.23 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-pyridinyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 113254240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).