N-[[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]methyl]ethanamine

C17H18BrN3 — CID 104801171

IUPACN-[[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]methyl]ethanamine
SMILESCCNCc1cccc2c1ccn2Cc1cncc(Br)c1
InChIInChI=1S/C17H18BrN3/c1-2-19-10-14-4-3-5-17-16(14)6-7-21(17)12-13-8-15(18)11-20-9-13/h3-9,11,19H,2,10,12H2,1H3
InChIKeyJMSKIHHFBUWCSG-UHFFFAOYSA-N
MW344.26 g/mol
LogP3.96
Rot. Bonds5

About N-[[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]methyl]ethanamine

N-[[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]methyl]ethanamine (PubChem CID 104801171) 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-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]methyl]ethanamine
PubChem CID104801171
Molecular FormulaC17H18BrN3
Molecular Weight344.26 g/mol
Exact Mass343.07
IUPAC NameN-[[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]methyl]ethanamine
SMILESCCNCc1cccc2c1ccn2Cc1cncc(Br)c1
InChIInChI=1S/C17H18BrN3/c1-2-19-10-14-4-3-5-17-16(14)6-7-21(17)12-13-8-15(18)11-20-9-13/h3-9,11,19H,2,10,12H2,1H3
InChIKeyJMSKIHHFBUWCSG-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

1-[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]-N-methylmethanamine
CID 104801167
N-[[1-[(5-bromo-3-pyridinyl)methyl]indol-3-yl]methyl]ethanamine
CID 104801202
1-[(5-bromo-3-pyridinyl)methyl]-4-methoxyindole
CID 104811345
N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]methanamine
CID 102877971
N-[[2-[(5-bromo-3-pyridinyl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 104796465
2-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]ethanamine
CID 102878789
2-[[1-(pyridin-4-ylmethyl)indol-4-yl]methylamino]ethanol
CID 176845459
N-[[1-(2-methylprop-2-enyl)indol-4-yl]methyl]ethanamine
CID 79186431
N-[[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718876
N-[(1-pent-3-ynylindol-4-yl)methyl]ethanamine
CID 113455950
4-fluoro-1-[(5-fluoro-3-pyridinyl)methyl]indole
CID 114084739
3-[4-(ethylaminomethyl)indol-1-yl]-2,2-dimethylpropanoic acid
CID 79620776

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]methyl]ethanamine (CID 104801171) is N-[[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]methyl]ethanamine is CCNCc1cccc2c1ccn2Cc1cncc(Br)c1.
What is the InChIKey of N-[[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]methyl]ethanamine?
The InChIKey is JMSKIHHFBUWCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3/c1-2-19-10-14-4-3-5-17-16(14)6-7-21(17)12-13-8-15(18)11-20-9-13/h3-9,11,19H,2,10,12H2,1H3.
What are the key properties of N-[[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]methyl]ethanamine?
N-[[1-[(5-bromo-3-pyridinyl)methyl]indol-4-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-4-yl]methyl]ethanamine is sourced from PubChem (CID 104801171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).