N-[[2-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]ethanamine

C16H18FN3 — CID 103502844

IUPACN-[[2-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccnc1N1CCc2ccc(F)cc21
InChIInChI=1S/C16H18FN3/c1-2-18-11-13-4-3-8-19-16(13)20-9-7-12-5-6-14(17)10-15(12)20/h3-6,8,10,18H,2,7,9,11H2,1H3
InChIKeyQRAJAOXRDQISMH-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.02
Rot. Bonds4

About N-[[2-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]ethanamine

N-[[2-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]ethanamine (PubChem CID 103502844) has the molecular formula C16H18FN3 and a molecular weight of 271.34 g/mol. Its IUPAC name is N-[[2-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]ethanamine
PubChem CID103502844
Molecular FormulaC16H18FN3
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC NameN-[[2-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccnc1N1CCc2ccc(F)cc21
InChIInChI=1S/C16H18FN3/c1-2-18-11-13-4-3-8-19-16(13)20-9-7-12-5-6-14(17)10-15(12)20/h3-6,8,10,18H,2,7,9,11H2,1H3
InChIKeyQRAJAOXRDQISMH-UHFFFAOYSA-N
XLogP3.02
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 103502864
N-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 62279125
N-[[2-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62280665
N-[[6-(6-fluoro-2,3-dihydroindol-1-yl)pyrazin-2-yl]methyl]ethanamine
CID 103502851
1-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-6-fluoro-2,3-dihydroindole
CID 103501441
N-[[3-chloro-6-(6-fluoro-2,3-dihydroindol-1-yl)-2-pyridinyl]methyl]ethanamine
CID 103502907
N-[[3-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]phenyl]methyl]ethanamine
CID 103503085
N-[[6-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 103499268
N-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methyl]ethanamine
CID 63152821
6-(6-fluoro-2,3-dihydroindol-1-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 103504481
1-[4-[3-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 45228706
N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-fluorophenyl]methyl]ethanamine
CID 43313766

Frequently Asked Questions

What is the IUPAC name of N-[[2-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]ethanamine (CID 103502844) is N-[[2-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]ethanamine is CCNCc1cccnc1N1CCc2ccc(F)cc21.
What is the InChIKey of N-[[2-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is QRAJAOXRDQISMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3/c1-2-18-11-13-4-3-8-19-16(13)20-9-7-12-5-6-14(17)10-15(12)20/h3-6,8,10,18H,2,7,9,11H2,1H3.
What are the key properties of N-[[2-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]ethanamine?
N-[[2-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]ethanamine has a molecular weight of 271.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 103502844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).