(1R)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine

C16H17FN2 — CID 103496814

IUPAC(1R)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(N2CCc3ccc(F)cc32)cc1
InChIInChI=1S/C16H17FN2/c1-11(18)12-3-6-15(7-4-12)19-9-8-13-2-5-14(17)10-16(13)19/h2-7,10-11H,8-9,18H2,1H3/t11-/m1/s1
InChIKeyXFDVJWVLPALYFF-LLVKDONJSA-N
MW256.32 g/mol
LogP3.54
Rot. Bonds2

About (1R)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine

(1R)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine (PubChem CID 103496814) has the molecular formula C16H17FN2 and a molecular weight of 256.32 g/mol. Its IUPAC name is (1R)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
PubChem CID103496814
Molecular FormulaC16H17FN2
Molecular Weight256.32 g/mol
Exact Mass256.14
IUPAC Name(1R)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(N2CCc3ccc(F)cc32)cc1
InChIInChI=1S/C16H17FN2/c1-11(18)12-3-6-15(7-4-12)19-9-8-13-2-5-14(17)10-16(13)19/h2-7,10-11H,8-9,18H2,1H3/t11-/m1/s1
InChIKeyXFDVJWVLPALYFF-LLVKDONJSA-N
XLogP3.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanol
CID 103498434
(1S)-1-[3-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496767
(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-(1-aminoethyl)-5-(6-fluoro-2,3-dihydroindol-1-yl)phenol
CID 103496794
(1S)-1-[2-fluoro-6-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496718
3-fluoro-5-(6-fluoro-2,3-dihydroindol-1-yl)aniline
CID 103493897
1-[3-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanol
CID 103498394
1-(4-fluorophenyl)-2,3-dihydroindole-6-carbaldehyde
CID 122476442
1-[5-(6-fluoro-2,3-dihydroindol-1-yl)-2-pyridinyl]propan-1-ol
CID 103498405
1-[2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-yl]propan-2-amine
CID 103503850
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylbenzoic acid
CID 103496508

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine (CID 103496814) is (1R)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine is C[C@@H](N)c1ccc(N2CCc3ccc(F)cc32)cc1.
What is the InChIKey of (1R)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine?
The InChIKey is XFDVJWVLPALYFF-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17FN2/c1-11(18)12-3-6-15(7-4-12)19-9-8-13-2-5-14(17)10-16(13)19/h2-7,10-11H,8-9,18H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine?
(1R)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine has a molecular weight of 256.32 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 103496814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).