[1-(2-fluoroethyl)-3a,7a-dihydroindol-5-yl]methanamine

C11H15FN2 — CID 146245942

IUPAC[1-(2-fluoroethyl)-3a,7a-dihydroindol-5-yl]methanamine
SMILESNCC1=CC2C=CN(CCF)C2C=C1
InChIInChI=1S/C11H15FN2/c12-4-6-14-5-3-10-7-9(8-13)1-2-11(10)14/h1-3,5,7,10-11H,4,6,8,13H2
InChIKeyOMLJAIZLRJIHPR-UHFFFAOYSA-N
MW194.25 g/mol
LogP1.22
Rot. Bonds3

About [1-(2-fluoroethyl)-3a,7a-dihydroindol-5-yl]methanamine

[1-(2-fluoroethyl)-3a,7a-dihydroindol-5-yl]methanamine (PubChem CID 146245942) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is [1-(2-fluoroethyl)-3a,7a-dihydroindol-5-yl]methanamine.

Molecular Properties

Compound Name[1-(2-fluoroethyl)-3a,7a-dihydroindol-5-yl]methanamine
PubChem CID146245942
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name[1-(2-fluoroethyl)-3a,7a-dihydroindol-5-yl]methanamine
SMILESNCC1=CC2C=CN(CCF)C2C=C1
InChIInChI=1S/C11H15FN2/c12-4-6-14-5-3-10-7-9(8-13)1-2-11(10)14/h1-3,5,7,10-11H,4,6,8,13H2
InChIKeyOMLJAIZLRJIHPR-UHFFFAOYSA-N
XLogP1.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoroethyl)-3a,7a-dihydroindol-5-yl]methanamine?
The IUPAC name of [1-(2-fluoroethyl)-3a,7a-dihydroindol-5-yl]methanamine (CID 146245942) is [1-(2-fluoroethyl)-3a,7a-dihydroindol-5-yl]methanamine.
What is the SMILES notation for [1-(2-fluoroethyl)-3a,7a-dihydroindol-5-yl]methanamine?
The canonical SMILES for [1-(2-fluoroethyl)-3a,7a-dihydroindol-5-yl]methanamine is NCC1=CC2C=CN(CCF)C2C=C1.
What is the InChIKey of [1-(2-fluoroethyl)-3a,7a-dihydroindol-5-yl]methanamine?
The InChIKey is OMLJAIZLRJIHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c12-4-6-14-5-3-10-7-9(8-13)1-2-11(10)14/h1-3,5,7,10-11H,4,6,8,13H2.
What are the key properties of [1-(2-fluoroethyl)-3a,7a-dihydroindol-5-yl]methanamine?
[1-(2-fluoroethyl)-3a,7a-dihydroindol-5-yl]methanamine has a molecular weight of 194.25 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoroethyl)-3a,7a-dihydroindol-5-yl]methanamine is sourced from PubChem (CID 146245942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).