4-fluoro-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-inden-1-amine

C15H22FN — CID 79492992

IUPAC4-fluoro-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-inden-1-amine
SMILESCCC(C)C(C)NC1CCc2c(F)cccc21
InChIInChI=1S/C15H22FN/c1-4-10(2)11(3)17-15-9-8-12-13(15)6-5-7-14(12)16/h5-7,10-11,15,17H,4,8-9H2,1-3H3
InChIKeyNWFJSIJVUUDEGX-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.84
Rot. Bonds4

About 4-fluoro-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-inden-1-amine

4-fluoro-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 79492992) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 4-fluoro-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-fluoro-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-inden-1-amine
PubChem CID79492992
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name4-fluoro-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-inden-1-amine
SMILESCCC(C)C(C)NC1CCc2c(F)cccc21
InChIInChI=1S/C15H22FN/c1-4-10(2)11(3)17-15-9-8-12-13(15)6-5-7-14(12)16/h5-7,10-11,15,17H,4,8-9H2,1-3H3
InChIKeyNWFJSIJVUUDEGX-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-fluoro-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-inden-1-amine (CID 79492992) is 4-fluoro-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-fluoro-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-fluoro-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-inden-1-amine is CCC(C)C(C)NC1CCc2c(F)cccc21.
What is the InChIKey of 4-fluoro-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is NWFJSIJVUUDEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-4-10(2)11(3)17-15-9-8-12-13(15)6-5-7-14(12)16/h5-7,10-11,15,17H,4,8-9H2,1-3H3.
What are the key properties of 4-fluoro-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-inden-1-amine?
4-fluoro-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79492992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).