(1S)-1-[2-fluoro-6-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine

C16H16F2N2 — CID 103496718

IUPAC(1S)-1-[2-fluoro-6-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
SMILESC[C@H](N)c1c(F)cccc1N1CCc2ccc(F)cc21
InChIInChI=1S/C16H16F2N2/c1-10(19)16-13(18)3-2-4-14(16)20-8-7-11-5-6-12(17)9-15(11)20/h2-6,9-10H,7-8,19H2,1H3/t10-/m0/s1
InChIKeyRCBHMZZSQNKDFV-JTQLQIEISA-N
MW274.31 g/mol
LogP3.68
Rot. Bonds2

About (1S)-1-[2-fluoro-6-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine

(1S)-1-[2-fluoro-6-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine (PubChem CID 103496718) has the molecular formula C16H16F2N2 and a molecular weight of 274.31 g/mol. Its IUPAC name is (1S)-1-[2-fluoro-6-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-fluoro-6-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
PubChem CID103496718
Molecular FormulaC16H16F2N2
Molecular Weight274.31 g/mol
Exact Mass274.13
IUPAC Name(1S)-1-[2-fluoro-6-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
SMILESC[C@H](N)c1c(F)cccc1N1CCc2ccc(F)cc21
InChIInChI=1S/C16H16F2N2/c1-10(19)16-13(18)3-2-4-14(16)20-8-7-11-5-6-12(17)9-15(11)20/h2-6,9-10H,7-8,19H2,1H3/t10-/m0/s1
InChIKeyRCBHMZZSQNKDFV-JTQLQIEISA-N
XLogP3.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-fluorophenyl]ethanamine
CID 43188883
(1S)-1-[3-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496767
(1R)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496814
(1S)-1-[3-chloro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496697
(1R)-1-[3-chloro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496695
2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzenesulfonamide
CID 103494011
[2-chloro-6-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]methanamine
CID 103494043
1-[3-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanol
CID 103498394
2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile
CID 103493907
2-(1-aminoethyl)-5-(6-fluoro-2,3-dihydroindol-1-yl)phenol
CID 103496794
1-[2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-yl]propan-2-amine
CID 103503850
(1R)-1-[2-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]propan-1-ol
CID 103498371

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-fluoro-6-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine?
The IUPAC name of (1S)-1-[2-fluoro-6-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine (CID 103496718) is (1S)-1-[2-fluoro-6-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-fluoro-6-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-fluoro-6-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine is C[C@H](N)c1c(F)cccc1N1CCc2ccc(F)cc21.
What is the InChIKey of (1S)-1-[2-fluoro-6-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine?
The InChIKey is RCBHMZZSQNKDFV-JTQLQIEISA-N. The full InChI is InChI=1S/C16H16F2N2/c1-10(19)16-13(18)3-2-4-14(16)20-8-7-11-5-6-12(17)9-15(11)20/h2-6,9-10H,7-8,19H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-[2-fluoro-6-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine?
(1S)-1-[2-fluoro-6-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine has a molecular weight of 274.31 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-fluoro-6-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 103496718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).