2-butyl-6-fluoro-2,3-dihydro-1H-inden-5-amine

C13H18FN — CID 58779690

IUPAC2-butyl-6-fluoro-2,3-dihydro-1H-inden-5-amine
SMILESCCCCC1Cc2cc(N)c(F)cc2C1
InChIInChI=1S/C13H18FN/c1-2-3-4-9-5-10-7-12(14)13(15)8-11(10)6-9/h7-9H,2-6,15H2,1H3
InChIKeyQDRYTTYUGJMMBB-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.31
Rot. Bonds3

About 2-butyl-6-fluoro-2,3-dihydro-1H-inden-5-amine

2-butyl-6-fluoro-2,3-dihydro-1H-inden-5-amine (PubChem CID 58779690) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-butyl-6-fluoro-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound Name2-butyl-6-fluoro-2,3-dihydro-1H-inden-5-amine
PubChem CID58779690
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name2-butyl-6-fluoro-2,3-dihydro-1H-inden-5-amine
SMILESCCCCC1Cc2cc(N)c(F)cc2C1
InChIInChI=1S/C13H18FN/c1-2-3-4-9-5-10-7-12(14)13(15)8-11(10)6-9/h7-9H,2-6,15H2,1H3
InChIKeyQDRYTTYUGJMMBB-UHFFFAOYSA-N
XLogP3.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-fluoro-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of 2-butyl-6-fluoro-2,3-dihydro-1H-inden-5-amine (CID 58779690) is 2-butyl-6-fluoro-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for 2-butyl-6-fluoro-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for 2-butyl-6-fluoro-2,3-dihydro-1H-inden-5-amine is CCCCC1Cc2cc(N)c(F)cc2C1.
What is the InChIKey of 2-butyl-6-fluoro-2,3-dihydro-1H-inden-5-amine?
The InChIKey is QDRYTTYUGJMMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-2-3-4-9-5-10-7-12(14)13(15)8-11(10)6-9/h7-9H,2-6,15H2,1H3.
What are the key properties of 2-butyl-6-fluoro-2,3-dihydro-1H-inden-5-amine?
2-butyl-6-fluoro-2,3-dihydro-1H-inden-5-amine has a molecular weight of 207.29 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-fluoro-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 58779690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).