N-[(5-bromo-4-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride

C9H14BrClN2 — CID 131863013

IUPACN-[(5-bromo-4-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride
SMILESCCNCc1cncc(Br)c1C.Cl
InChIInChI=1S/C9H13BrN2.ClH/c1-3-11-4-8-5-12-6-9(10)7(8)2;/h5-6,11H,3-4H2,1-2H3;1H
InChIKeyLHTPGKUYSAJLCV-UHFFFAOYSA-N
MW265.58 g/mol
LogP2.68
Rot. Bonds3

About N-[(5-bromo-4-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride

N-[(5-bromo-4-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride (PubChem CID 131863013) has the molecular formula C9H14BrClN2 and a molecular weight of 265.58 g/mol. Its IUPAC name is N-[(5-bromo-4-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(5-bromo-4-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride
PubChem CID131863013
Molecular FormulaC9H14BrClN2
Molecular Weight265.58 g/mol
Exact Mass264.00
IUPAC NameN-[(5-bromo-4-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride
SMILESCCNCc1cncc(Br)c1C.Cl
InChIInChI=1S/C9H13BrN2.ClH/c1-3-11-4-8-5-12-6-9(10)7(8)2;/h5-6,11H,3-4H2,1-2H3;1H
InChIKeyLHTPGKUYSAJLCV-UHFFFAOYSA-N
XLogP2.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.58
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-bromo-4-methyl-3-pyridinyl)propanal
CID 75406621
3-(5-bromo-4-methyl-3-pyridinyl)propanenitrile
CID 75406628
N-[[5-(1H-indazol-5-yl)-4-methyl-3-pyridinyl]methyl]ethanamine
CID 141037155
N-[[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075462
N-[(2-methylphenyl)methyl]ethanamine;hydrochloride
CID 17293898
N-[(5-bromo-2-imidazol-1-yl-3-pyridinyl)methyl]ethanamine
CID 62293805
N-[[5-bromo-2-[(5-bromo-3-pyridinyl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 104796493
N-[[4-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 81250588
N-[(4-bromo-3-chloro-2-fluorophenyl)methyl]ethanamine;hydrochloride
CID 167530134
N-[(2-bromo-4-chlorophenyl)methyl]ethanamine
CID 81497013
4-bromo-2-(ethylaminomethyl)-6-methylphenol
CID 112553820
N-[(3,4-dibromophenyl)methyl]ethanamine
CID 115692981

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-4-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride?
The IUPAC name of N-[(5-bromo-4-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride (CID 131863013) is N-[(5-bromo-4-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[(5-bromo-4-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[(5-bromo-4-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride is CCNCc1cncc(Br)c1C.Cl.
What is the InChIKey of N-[(5-bromo-4-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride?
The InChIKey is LHTPGKUYSAJLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2.ClH/c1-3-11-4-8-5-12-6-9(10)7(8)2;/h5-6,11H,3-4H2,1-2H3;1H.
What are the key properties of N-[(5-bromo-4-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride?
N-[(5-bromo-4-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride has a molecular weight of 265.58 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-4-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 131863013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).