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

C17H20FN3 — CID 103499268

IUPACN-[[6-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(N2CCc3ccc(F)cc32)nc1
InChIInChI=1S/C17H20FN3/c1-2-8-19-11-13-3-6-17(20-12-13)21-9-7-14-4-5-15(18)10-16(14)21/h3-6,10,12,19H,2,7-9,11H2,1H3
InChIKeyMUIUPCUCCIRELZ-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.41
Rot. Bonds5

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

N-[[6-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 103499268) has the molecular formula C17H20FN3 and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[[6-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-1-amine
PubChem CID103499268
Molecular FormulaC17H20FN3
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC NameN-[[6-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(N2CCc3ccc(F)cc32)nc1
InChIInChI=1S/C17H20FN3/c1-2-8-19-11-13-3-6-17(20-12-13)21-9-7-14-4-5-15(18)10-16(14)21/h3-6,10,12,19H,2,7-9,11H2,1H3
InChIKeyMUIUPCUCCIRELZ-UHFFFAOYSA-N
XLogP3.41
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[6-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 103499292
[6-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methanol
CID 103498498
2-[6-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]ethanamine
CID 103503861
N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 55054608
6-(6-fluoro-2,3-dihydroindol-1-yl)-4-N-propylpyrimidine-2,4-diamine
CID 103504467
N-[[6-(6-fluoro-2,3-dihydroindol-1-yl)pyrazin-2-yl]methyl]ethanamine
CID 103502851
N-[[3-chloro-6-(6-fluoro-2,3-dihydroindol-1-yl)-2-pyridinyl]methyl]ethanamine
CID 103502907
6-(6-fluoro-2,3-dihydroindol-1-yl)pyridine-3-carbothioamide
CID 103495649
6-(6-fluoro-2,3-dihydroindol-1-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 103504481
N-[[2-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]ethanamine
CID 103502844
[6-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-3-pyridinyl]methanol
CID 103501395
N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 114412489

Frequently Asked Questions

What is the IUPAC name of N-[[6-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-1-amine (CID 103499268) is N-[[6-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1ccc(N2CCc3ccc(F)cc32)nc1.
What is the InChIKey of N-[[6-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is MUIUPCUCCIRELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3/c1-2-8-19-11-13-3-6-17(20-12-13)21-9-7-14-4-5-15(18)10-16(14)21/h3-6,10,12,19H,2,7-9,11H2,1H3.
What are the key properties of N-[[6-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-1-amine?
N-[[6-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 285.37 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 103499268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).