(2S)-1-(5-fluoro-6-iodo-2,3-dihydroindol-1-yl)propan-2-amine

C11H14FIN2 — CID 18735305

IUPAC(2S)-1-(5-fluoro-6-iodo-2,3-dihydroindol-1-yl)propan-2-amine
SMILESC[C@H](N)CN1CCc2cc(F)c(I)cc21
InChIInChI=1S/C11H14FIN2/c1-7(14)6-15-3-2-8-4-9(12)10(13)5-11(8)15/h4-5,7H,2-3,6,14H2,1H3/t7-/m0/s1
InChIKeyKZFPTLZBQZDFHT-ZETCQYMHSA-N
MW320.15 g/mol
LogP2.14
Rot. Bonds2

About (2S)-1-(5-fluoro-6-iodo-2,3-dihydroindol-1-yl)propan-2-amine

(2S)-1-(5-fluoro-6-iodo-2,3-dihydroindol-1-yl)propan-2-amine (PubChem CID 18735305) has the molecular formula C11H14FIN2 and a molecular weight of 320.15 g/mol. Its IUPAC name is (2S)-1-(5-fluoro-6-iodo-2,3-dihydroindol-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(5-fluoro-6-iodo-2,3-dihydroindol-1-yl)propan-2-amine
PubChem CID18735305
Molecular FormulaC11H14FIN2
Molecular Weight320.15 g/mol
Exact Mass320.02
IUPAC Name(2S)-1-(5-fluoro-6-iodo-2,3-dihydroindol-1-yl)propan-2-amine
SMILESC[C@H](N)CN1CCc2cc(F)c(I)cc21
InChIInChI=1S/C11H14FIN2/c1-7(14)6-15-3-2-8-4-9(12)10(13)5-11(8)15/h4-5,7H,2-3,6,14H2,1H3/t7-/m0/s1
InChIKeyKZFPTLZBQZDFHT-ZETCQYMHSA-N
XLogP2.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (2S)-1-(5-fluoro-6-iodo-2,3-dihydroindol-1-yl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-fluoro-6-iodo-2,3-dihydroindol-1-yl)propan-2-amine?
The IUPAC name of (2S)-1-(5-fluoro-6-iodo-2,3-dihydroindol-1-yl)propan-2-amine (CID 18735305) is (2S)-1-(5-fluoro-6-iodo-2,3-dihydroindol-1-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-(5-fluoro-6-iodo-2,3-dihydroindol-1-yl)propan-2-amine?
The canonical SMILES for (2S)-1-(5-fluoro-6-iodo-2,3-dihydroindol-1-yl)propan-2-amine is C[C@H](N)CN1CCc2cc(F)c(I)cc21.
What is the InChIKey of (2S)-1-(5-fluoro-6-iodo-2,3-dihydroindol-1-yl)propan-2-amine?
The InChIKey is KZFPTLZBQZDFHT-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14FIN2/c1-7(14)6-15-3-2-8-4-9(12)10(13)5-11(8)15/h4-5,7H,2-3,6,14H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-1-(5-fluoro-6-iodo-2,3-dihydroindol-1-yl)propan-2-amine?
(2S)-1-(5-fluoro-6-iodo-2,3-dihydroindol-1-yl)propan-2-amine has a molecular weight of 320.15 g/mol, XLogP of 2.14, 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-6-iodo-2,3-dihydroindol-1-yl)propan-2-amine is sourced from PubChem (CID 18735305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).