3-(6-fluoro-1,3-dimethylindol-2-yl)propan-1-amine

C13H17FN2 — CID 84623642

IUPAC3-(6-fluoro-1,3-dimethylindol-2-yl)propan-1-amine
SMILESCc1c(CCCN)n(C)c2cc(F)ccc12
InChIInChI=1S/C13H17FN2/c1-9-11-6-5-10(14)8-13(11)16(2)12(9)4-3-7-15/h5-6,8H,3-4,7,15H2,1-2H3
InChIKeyXGVMATVKYMZONC-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.52
Rot. Bonds3

About 3-(6-fluoro-1,3-dimethylindol-2-yl)propan-1-amine

3-(6-fluoro-1,3-dimethylindol-2-yl)propan-1-amine (PubChem CID 84623642) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 3-(6-fluoro-1,3-dimethylindol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(6-fluoro-1,3-dimethylindol-2-yl)propan-1-amine
PubChem CID84623642
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name3-(6-fluoro-1,3-dimethylindol-2-yl)propan-1-amine
SMILESCc1c(CCCN)n(C)c2cc(F)ccc12
InChIInChI=1S/C13H17FN2/c1-9-11-6-5-10(14)8-13(11)16(2)12(9)4-3-7-15/h5-6,8H,3-4,7,15H2,1-2H3
InChIKeyXGVMATVKYMZONC-UHFFFAOYSA-N
XLogP2.52
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1,3-dimethylindol-2-yl)propan-1-amine?
The IUPAC name of 3-(6-fluoro-1,3-dimethylindol-2-yl)propan-1-amine (CID 84623642) is 3-(6-fluoro-1,3-dimethylindol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(6-fluoro-1,3-dimethylindol-2-yl)propan-1-amine?
The canonical SMILES for 3-(6-fluoro-1,3-dimethylindol-2-yl)propan-1-amine is Cc1c(CCCN)n(C)c2cc(F)ccc12.
What is the InChIKey of 3-(6-fluoro-1,3-dimethylindol-2-yl)propan-1-amine?
The InChIKey is XGVMATVKYMZONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c1-9-11-6-5-10(14)8-13(11)16(2)12(9)4-3-7-15/h5-6,8H,3-4,7,15H2,1-2H3.
What are the key properties of 3-(6-fluoro-1,3-dimethylindol-2-yl)propan-1-amine?
3-(6-fluoro-1,3-dimethylindol-2-yl)propan-1-amine has a molecular weight of 220.29 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1,3-dimethylindol-2-yl)propan-1-amine is sourced from PubChem (CID 84623642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).