2-(6-fluoro-2,3-dihydroindol-1-yl)-N-methyl-2-phenylethanamine

C17H19FN2 — CID 103503159

IUPAC2-(6-fluoro-2,3-dihydroindol-1-yl)-N-methyl-2-phenylethanamine
SMILESCNCC(c1ccccc1)N1CCc2ccc(F)cc21
InChIInChI=1S/C17H19FN2/c1-19-12-17(13-5-3-2-4-6-13)20-10-9-14-7-8-15(18)11-16(14)20/h2-8,11,17,19H,9-10,12H2,1H3
InChIKeyLGHBFOORQYYSRS-UHFFFAOYSA-N
MW270.35 g/mol
LogP3.15
Rot. Bonds4

About 2-(6-fluoro-2,3-dihydroindol-1-yl)-N-methyl-2-phenylethanamine

2-(6-fluoro-2,3-dihydroindol-1-yl)-N-methyl-2-phenylethanamine (PubChem CID 103503159) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-(6-fluoro-2,3-dihydroindol-1-yl)-N-methyl-2-phenylethanamine.

Molecular Properties

Compound Name2-(6-fluoro-2,3-dihydroindol-1-yl)-N-methyl-2-phenylethanamine
PubChem CID103503159
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name2-(6-fluoro-2,3-dihydroindol-1-yl)-N-methyl-2-phenylethanamine
SMILESCNCC(c1ccccc1)N1CCc2ccc(F)cc21
InChIInChI=1S/C17H19FN2/c1-19-12-17(13-5-3-2-4-6-13)20-10-9-14-7-8-15(18)11-16(14)20/h2-8,11,17,19H,9-10,12H2,1H3
InChIKeyLGHBFOORQYYSRS-UHFFFAOYSA-N
XLogP3.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dichlorophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
CID 103494477
2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid
CID 103827394
2-(3-chloro-5-fluorophenyl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
CID 103494431
2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-methylpropan-1-amine
CID 103504239
2-(4-fluorophenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 22692501
3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylbutanoic acid
CID 103498081
4-[1-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]phenol
CID 103504800
3-amino-2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid
CID 103494512
1-(3-chlorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-2-amine
CID 103494129
2-(6-fluoro-2,3-dihydroindol-1-yl)-2-(4-methyl-3-pyridinyl)ethanamine
CID 103494389
2-(1,3-dimethylpyrazol-4-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
CID 103494548
2-(3-bromofuran-2-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
CID 106885883

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2,3-dihydroindol-1-yl)-N-methyl-2-phenylethanamine?
The IUPAC name of 2-(6-fluoro-2,3-dihydroindol-1-yl)-N-methyl-2-phenylethanamine (CID 103503159) is 2-(6-fluoro-2,3-dihydroindol-1-yl)-N-methyl-2-phenylethanamine.
What is the SMILES notation for 2-(6-fluoro-2,3-dihydroindol-1-yl)-N-methyl-2-phenylethanamine?
The canonical SMILES for 2-(6-fluoro-2,3-dihydroindol-1-yl)-N-methyl-2-phenylethanamine is CNCC(c1ccccc1)N1CCc2ccc(F)cc21.
What is the InChIKey of 2-(6-fluoro-2,3-dihydroindol-1-yl)-N-methyl-2-phenylethanamine?
The InChIKey is LGHBFOORQYYSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c1-19-12-17(13-5-3-2-4-6-13)20-10-9-14-7-8-15(18)11-16(14)20/h2-8,11,17,19H,9-10,12H2,1H3.
What are the key properties of 2-(6-fluoro-2,3-dihydroindol-1-yl)-N-methyl-2-phenylethanamine?
2-(6-fluoro-2,3-dihydroindol-1-yl)-N-methyl-2-phenylethanamine has a molecular weight of 270.35 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2,3-dihydroindol-1-yl)-N-methyl-2-phenylethanamine is sourced from PubChem (CID 103503159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).