3-(7-fluoro-1H-indol-2-yl)-N-methylpropan-1-amine

C12H15FN2 — CID 117196860

IUPAC3-(7-fluoro-1H-indol-2-yl)-N-methylpropan-1-amine
SMILESCNCCCc1cc2cccc(F)c2[nH]1
InChIInChI=1S/C12H15FN2/c1-14-7-3-5-10-8-9-4-2-6-11(13)12(9)15-10/h2,4,6,8,14-15H,3,5,7H2,1H3
InChIKeyGSFFNJMHGDKPPK-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.46
Rot. Bonds4

About 3-(7-fluoro-1H-indol-2-yl)-N-methylpropan-1-amine

3-(7-fluoro-1H-indol-2-yl)-N-methylpropan-1-amine (PubChem CID 117196860) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 3-(7-fluoro-1H-indol-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(7-fluoro-1H-indol-2-yl)-N-methylpropan-1-amine
PubChem CID117196860
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name3-(7-fluoro-1H-indol-2-yl)-N-methylpropan-1-amine
SMILESCNCCCc1cc2cccc(F)c2[nH]1
InChIInChI=1S/C12H15FN2/c1-14-7-3-5-10-8-9-4-2-6-11(13)12(9)15-10/h2,4,6,8,14-15H,3,5,7H2,1H3
InChIKeyGSFFNJMHGDKPPK-UHFFFAOYSA-N
XLogP2.46
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-1H-indol-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(7-fluoro-1H-indol-2-yl)-N-methylpropan-1-amine (CID 117196860) is 3-(7-fluoro-1H-indol-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(7-fluoro-1H-indol-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(7-fluoro-1H-indol-2-yl)-N-methylpropan-1-amine is CNCCCc1cc2cccc(F)c2[nH]1.
What is the InChIKey of 3-(7-fluoro-1H-indol-2-yl)-N-methylpropan-1-amine?
The InChIKey is GSFFNJMHGDKPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c1-14-7-3-5-10-8-9-4-2-6-11(13)12(9)15-10/h2,4,6,8,14-15H,3,5,7H2,1H3.
What are the key properties of 3-(7-fluoro-1H-indol-2-yl)-N-methylpropan-1-amine?
3-(7-fluoro-1H-indol-2-yl)-N-methylpropan-1-amine has a molecular weight of 206.26 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-1H-indol-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 117196860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).