N-[[2-(2,3-dihydroindol-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine

C17H20FN3 — CID 105388865

IUPACN-[[2-(2,3-dihydroindol-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccnc(N2CCc3ccccc32)c1F
InChIInChI=1S/C17H20FN3/c1-12(2)20-11-14-7-9-19-17(16(14)18)21-10-8-13-5-3-4-6-15(13)21/h3-7,9,12,20H,8,10-11H2,1-2H3
InChIKeyOTHYCVUDKMPRGS-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.41
Rot. Bonds4

About N-[[2-(2,3-dihydroindol-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine

N-[[2-(2,3-dihydroindol-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine (PubChem CID 105388865) has the molecular formula C17H20FN3 and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[[2-(2,3-dihydroindol-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2,3-dihydroindol-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
PubChem CID105388865
Molecular FormulaC17H20FN3
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC NameN-[[2-(2,3-dihydroindol-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccnc(N2CCc3ccccc32)c1F
InChIInChI=1S/C17H20FN3/c1-12(2)20-11-14-7-9-19-17(16(14)18)21-10-8-13-5-3-4-6-15(13)21/h3-7,9,12,20H,8,10-11H2,1-2H3
InChIKeyOTHYCVUDKMPRGS-UHFFFAOYSA-N
XLogP3.41
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

N-[[5-bromo-2-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62280668
N-[[4-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81248946
N-[[3-fluoro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 105390492
N-[[4-(2,3-dihydroindol-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81249037
N-[[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]methyl]propan-2-amine
CID 43281003
N-[[2-(4-ethylpiperazin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105388897
1-[3-fluoro-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyridinyl]-N-methylmethanamine
CID 105390008
N-[[4-(2,3-dihydroindol-1-yl)-2-methylphenyl]methyl]propan-2-amine
CID 62135686
N-[[2-(3,3-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105389973
N-[[2-(3,5-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105388870
N-[[2-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62280665
N-[[2-(3-tert-butylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105390380

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-dihydroindol-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2,3-dihydroindol-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine (CID 105388865) is N-[[2-(2,3-dihydroindol-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2,3-dihydroindol-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2,3-dihydroindol-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine is CC(C)NCc1ccnc(N2CCc3ccccc32)c1F.
What is the InChIKey of N-[[2-(2,3-dihydroindol-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is OTHYCVUDKMPRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3/c1-12(2)20-11-14-7-9-19-17(16(14)18)21-10-8-13-5-3-4-6-15(13)21/h3-7,9,12,20H,8,10-11H2,1-2H3.
What are the key properties of N-[[2-(2,3-dihydroindol-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine?
N-[[2-(2,3-dihydroindol-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 285.37 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-dihydroindol-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 105388865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).