N-[[1-[(5-bromo-3-pyridinyl)methyl]indol-3-yl]methyl]ethanamine

C17H18BrN3 — CID 104801202

IUPACN-[[1-[(5-bromo-3-pyridinyl)methyl]indol-3-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2cncc(Br)c2)c2ccccc12
InChIInChI=1S/C17H18BrN3/c1-2-19-9-14-12-21(17-6-4-3-5-16(14)17)11-13-7-15(18)10-20-8-13/h3-8,10,12,19H,2,9,11H2,1H3
InChIKeyJRVNMKNDWCOFLM-UHFFFAOYSA-N
MW344.26 g/mol
LogP3.96
Rot. Bonds5

About N-[[1-[(5-bromo-3-pyridinyl)methyl]indol-3-yl]methyl]ethanamine

N-[[1-[(5-bromo-3-pyridinyl)methyl]indol-3-yl]methyl]ethanamine (PubChem CID 104801202) has the molecular formula C17H18BrN3 and a molecular weight of 344.26 g/mol. Its IUPAC name is N-[[1-[(5-bromo-3-pyridinyl)methyl]indol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(5-bromo-3-pyridinyl)methyl]indol-3-yl]methyl]ethanamine
PubChem CID104801202
Molecular FormulaC17H18BrN3
Molecular Weight344.26 g/mol
Exact Mass343.07
IUPAC NameN-[[1-[(5-bromo-3-pyridinyl)methyl]indol-3-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2cncc(Br)c2)c2ccccc12
InChIInChI=1S/C17H18BrN3/c1-2-19-9-14-12-21(17-6-4-3-5-16(14)17)11-13-7-15(18)10-20-8-13/h3-8,10,12,19H,2,9,11H2,1H3
InChIKeyJRVNMKNDWCOFLM-UHFFFAOYSA-N
XLogP3.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]methyl]ethanamine
CID 104801171
1-[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]-N-methylmethanamine
CID 104801167
N-[[1-(pyrimidin-2-ylmethyl)indol-3-yl]methyl]ethanamine
CID 66409737
2-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylethanamine
CID 66409955
2-[3-(ethylaminomethyl)indol-1-yl]ethanol
CID 66409741
N-[[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718876
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methyl]ethanamine
CID 66409730
1-[(5-bromo-3-pyridinyl)methyl]-4-methoxyindole
CID 104811345
2-[3-(ethylaminomethyl)indol-1-yl]acetamide
CID 66409295
(2R)-1-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylamino]propan-2-ol
CID 124826792
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methyl]-1-pyridin-3-ylmethanamine
CID 124783741
3-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine
CID 71025575

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-bromo-3-pyridinyl)methyl]indol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(5-bromo-3-pyridinyl)methyl]indol-3-yl]methyl]ethanamine (CID 104801202) is N-[[1-[(5-bromo-3-pyridinyl)methyl]indol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(5-bromo-3-pyridinyl)methyl]indol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(5-bromo-3-pyridinyl)methyl]indol-3-yl]methyl]ethanamine is CCNCc1cn(Cc2cncc(Br)c2)c2ccccc12.
What is the InChIKey of N-[[1-[(5-bromo-3-pyridinyl)methyl]indol-3-yl]methyl]ethanamine?
The InChIKey is JRVNMKNDWCOFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3/c1-2-19-9-14-12-21(17-6-4-3-5-16(14)17)11-13-7-15(18)10-20-8-13/h3-8,10,12,19H,2,9,11H2,1H3.
What are the key properties of N-[[1-[(5-bromo-3-pyridinyl)methyl]indol-3-yl]methyl]ethanamine?
N-[[1-[(5-bromo-3-pyridinyl)methyl]indol-3-yl]methyl]ethanamine has a molecular weight of 344.26 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-bromo-3-pyridinyl)methyl]indol-3-yl]methyl]ethanamine is sourced from PubChem (CID 104801202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).