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

C16H16BrN3 — CID 104801167

IUPAC1-[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]-N-methylmethanamine
SMILESCNCc1cccc2c1ccn2Cc1cncc(Br)c1
InChIInChI=1S/C16H16BrN3/c1-18-9-13-3-2-4-16-15(13)5-6-20(16)11-12-7-14(17)10-19-8-12/h2-8,10,18H,9,11H2,1H3
InChIKeyDUCZAJOKQWWQPD-UHFFFAOYSA-N
MW330.23 g/mol
LogP3.57
Rot. Bonds4

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

1-[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]-N-methylmethanamine (PubChem CID 104801167) has the molecular formula C16H16BrN3 and a molecular weight of 330.23 g/mol. Its IUPAC name is 1-[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]-N-methylmethanamine
PubChem CID104801167
Molecular FormulaC16H16BrN3
Molecular Weight330.23 g/mol
Exact Mass329.05
IUPAC Name1-[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]-N-methylmethanamine
SMILESCNCc1cccc2c1ccn2Cc1cncc(Br)c1
InChIInChI=1S/C16H16BrN3/c1-18-9-13-3-2-4-16-15(13)5-6-20(16)11-12-7-14(17)10-19-8-12/h2-8,10,18H,9,11H2,1H3
InChIKeyDUCZAJOKQWWQPD-UHFFFAOYSA-N
XLogP3.57
TPSA29.85 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 ≤ 53.57
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
N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]methanamine
CID 102877971
1-[(5-bromo-3-pyridinyl)methyl]-4-methoxyindole
CID 104811345
N-[[1-[(5-bromo-3-pyridinyl)methyl]indol-3-yl]methyl]ethanamine
CID 104801202
2-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]ethanamine
CID 102878789
4-fluoro-1-[(5-fluoro-3-pyridinyl)methyl]indole
CID 114084739
1-[(5-bromo-3-pyridinyl)methyl]-4-methylpyridin-2-one
CID 104809227
1-[2-[4-(methylaminomethyl)indol-1-yl]ethyl]pyridin-2-one
CID 82899272
1-[(5-methyl-3-pyridinyl)methyl]indole-4-carbothioamide
CID 107919437
2-[[1-(pyridin-4-ylmethyl)indol-4-yl]methylamino]ethanol
CID 176845459
1-[6-chloro-1-[(5-methyl-3-pyridinyl)methyl]indol-3-yl]-N-methylmethanamine
CID 102878056
1-[(5-methyl-3-pyridinyl)methyl]-4-propoxyindole
CID 102879190

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]-N-methylmethanamine (CID 104801167) is 1-[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]-N-methylmethanamine is CNCc1cccc2c1ccn2Cc1cncc(Br)c1.
What is the InChIKey of 1-[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]-N-methylmethanamine?
The InChIKey is DUCZAJOKQWWQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3/c1-18-9-13-3-2-4-16-15(13)5-6-20(16)11-12-7-14(17)10-19-8-12/h2-8,10,18H,9,11H2,1H3.
What are the key properties of 1-[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]-N-methylmethanamine?
1-[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]-N-methylmethanamine has a molecular weight of 330.23 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 104801167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).