2-[1-[(5-bromo-2-pyridinyl)methyl]indol-6-yl]ethanamine

C16H16BrN3 — CID 102917767

IUPAC2-[1-[(5-bromo-2-pyridinyl)methyl]indol-6-yl]ethanamine
SMILESNCCc1ccc2ccn(Cc3ccc(Br)cn3)c2c1
InChIInChI=1S/C16H16BrN3/c17-14-3-4-15(19-10-14)11-20-8-6-13-2-1-12(5-7-18)9-16(13)20/h1-4,6,8-10H,5,7,11,18H2
InChIKeyQZCHNNHENVKUMM-UHFFFAOYSA-N
MW330.23 g/mol
LogP3.35
Rot. Bonds4

About 2-[1-[(5-bromo-2-pyridinyl)methyl]indol-6-yl]ethanamine

2-[1-[(5-bromo-2-pyridinyl)methyl]indol-6-yl]ethanamine (PubChem CID 102917767) has the molecular formula C16H16BrN3 and a molecular weight of 330.23 g/mol. Its IUPAC name is 2-[1-[(5-bromo-2-pyridinyl)methyl]indol-6-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(5-bromo-2-pyridinyl)methyl]indol-6-yl]ethanamine
PubChem CID102917767
Molecular FormulaC16H16BrN3
Molecular Weight330.23 g/mol
Exact Mass329.05
IUPAC Name2-[1-[(5-bromo-2-pyridinyl)methyl]indol-6-yl]ethanamine
SMILESNCCc1ccc2ccn(Cc3ccc(Br)cn3)c2c1
InChIInChI=1S/C16H16BrN3/c17-14-3-4-15(19-10-14)11-20-8-6-13-2-1-12(5-7-18)9-16(13)20/h1-4,6,8-10H,5,7,11,18H2
InChIKeyQZCHNNHENVKUMM-UHFFFAOYSA-N
XLogP3.35
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]ethanamine
CID 107053881
2-[1-[(3-chloro-4-pyridinyl)methyl]indol-6-yl]ethanamine
CID 102917723
1-[(5-bromo-2-pyridinyl)methyl]-5-propoxyindole
CID 116625540
2-[1-[(2,3-dichlorophenyl)methyl]indol-6-yl]ethanamine
CID 107309943
2-[1-[(2-chloro-3-fluorophenyl)methyl]indol-6-yl]ethanamine
CID 102917786
2-[1-(2-phenoxyethyl)indol-6-yl]ethanamine
CID 102917753
1-[(5-bromo-2-pyridinyl)methyl]-4-chloroindole
CID 116623535
1-[(5-bromo-2-pyridinyl)methyl]quinolin-4-one
CID 104809188
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]ethanamine
CID 102917439
1-[(5-bromo-2-pyridinyl)methyl]-4-methylpyridin-2-one
CID 104809229
2-[1-[(5-bromo-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 104811080
6-[(6-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909478

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-bromo-2-pyridinyl)methyl]indol-6-yl]ethanamine?
The IUPAC name of 2-[1-[(5-bromo-2-pyridinyl)methyl]indol-6-yl]ethanamine (CID 102917767) is 2-[1-[(5-bromo-2-pyridinyl)methyl]indol-6-yl]ethanamine.
What is the SMILES notation for 2-[1-[(5-bromo-2-pyridinyl)methyl]indol-6-yl]ethanamine?
The canonical SMILES for 2-[1-[(5-bromo-2-pyridinyl)methyl]indol-6-yl]ethanamine is NCCc1ccc2ccn(Cc3ccc(Br)cn3)c2c1.
What is the InChIKey of 2-[1-[(5-bromo-2-pyridinyl)methyl]indol-6-yl]ethanamine?
The InChIKey is QZCHNNHENVKUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3/c17-14-3-4-15(19-10-14)11-20-8-6-13-2-1-12(5-7-18)9-16(13)20/h1-4,6,8-10H,5,7,11,18H2.
What are the key properties of 2-[1-[(5-bromo-2-pyridinyl)methyl]indol-6-yl]ethanamine?
2-[1-[(5-bromo-2-pyridinyl)methyl]indol-6-yl]ethanamine has a molecular weight of 330.23 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-bromo-2-pyridinyl)methyl]indol-6-yl]ethanamine is sourced from PubChem (CID 102917767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).