(2S)-1-(5-fluoro-2H-indol-3-yl)propan-2-amine

C11H13FN2 — CID 97300632

IUPAC(2S)-1-(5-fluoro-2H-indol-3-yl)propan-2-amine
SMILESC[C@H](N)CC1=c2cc(F)ccc2=NC1
InChIInChI=1S/C11H13FN2/c1-7(13)4-8-6-14-11-3-2-9(12)5-10(8)11/h2-3,5,7H,4,6,13H2,1H3/t7-/m0/s1
InChIKeyMTJRRRBTNUMNET-ZETCQYMHSA-N
MW192.24 g/mol
LogP0.35
Rot. Bonds2

About (2S)-1-(5-fluoro-2H-indol-3-yl)propan-2-amine

(2S)-1-(5-fluoro-2H-indol-3-yl)propan-2-amine (PubChem CID 97300632) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is (2S)-1-(5-fluoro-2H-indol-3-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(5-fluoro-2H-indol-3-yl)propan-2-amine
PubChem CID97300632
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name(2S)-1-(5-fluoro-2H-indol-3-yl)propan-2-amine
SMILESC[C@H](N)CC1=c2cc(F)ccc2=NC1
InChIInChI=1S/C11H13FN2/c1-7(13)4-8-6-14-11-3-2-9(12)5-10(8)11/h2-3,5,7H,4,6,13H2,1H3/t7-/m0/s1
InChIKeyMTJRRRBTNUMNET-ZETCQYMHSA-N
XLogP0.35
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-fluoro-2H-indol-3-yl)propan-2-amine?
The IUPAC name of (2S)-1-(5-fluoro-2H-indol-3-yl)propan-2-amine (CID 97300632) is (2S)-1-(5-fluoro-2H-indol-3-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-(5-fluoro-2H-indol-3-yl)propan-2-amine?
The canonical SMILES for (2S)-1-(5-fluoro-2H-indol-3-yl)propan-2-amine is C[C@H](N)CC1=c2cc(F)ccc2=NC1.
What is the InChIKey of (2S)-1-(5-fluoro-2H-indol-3-yl)propan-2-amine?
The InChIKey is MTJRRRBTNUMNET-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13FN2/c1-7(13)4-8-6-14-11-3-2-9(12)5-10(8)11/h2-3,5,7H,4,6,13H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-1-(5-fluoro-2H-indol-3-yl)propan-2-amine?
(2S)-1-(5-fluoro-2H-indol-3-yl)propan-2-amine has a molecular weight of 192.24 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-fluoro-2H-indol-3-yl)propan-2-amine is sourced from PubChem (CID 97300632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).