2-(5-bromo-3-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine

C14H16BrN3 — CID 104803955

IUPAC2-(5-bromo-3-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine
SMILESCc1cnc(C(N)Cc2cncc(Br)c2)c(C)c1
InChIInChI=1S/C14H16BrN3/c1-9-3-10(2)14(18-6-9)13(16)5-11-4-12(15)8-17-7-11/h3-4,6-8,13H,5,16H2,1-2H3
InChIKeyYDLHNEZAEMPMOR-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.10
Rot. Bonds3

About 2-(5-bromo-3-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine

2-(5-bromo-3-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine (PubChem CID 104803955) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine
PubChem CID104803955
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine
SMILESCc1cnc(C(N)Cc2cncc(Br)c2)c(C)c1
InChIInChI=1S/C14H16BrN3/c1-9-3-10(2)14(18-6-9)13(16)5-11-4-12(15)8-17-7-11/h3-4,6-8,13H,5,16H2,1-2H3
InChIKeyYDLHNEZAEMPMOR-UHFFFAOYSA-N
XLogP3.10
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-(2,4-dimethylphenyl)ethanamine
CID 105036620
2-(5-bromo-3-pyridinyl)-1-(2,3-dimethylphenyl)ethanamine
CID 105036926
2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804107
2-(5-bromo-3-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 105036758
2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethanamine
CID 104801176
2-(2-chlorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine
CID 113365589
2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine
CID 106268375
2-(5-bromo-3-pyridinyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine
CID 104803789
3-(5-bromo-3-pyridinyl)-N,2-dimethylpropan-1-amine
CID 104810425
1-(5-bromo-3-pyridinyl)-3-ethylpentan-2-amine
CID 105036917
2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanamine
CID 104801052
2-(5-bromo-3-pyridinyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105036929

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine (CID 104803955) is 2-(5-bromo-3-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine is Cc1cnc(C(N)Cc2cncc(Br)c2)c(C)c1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine?
The InChIKey is YDLHNEZAEMPMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-9-3-10(2)14(18-6-9)13(16)5-11-4-12(15)8-17-7-11/h3-4,6-8,13H,5,16H2,1-2H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine?
2-(5-bromo-3-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine has a molecular weight of 306.21 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 104803955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).