4-fluoro-N-(2-propan-2-ylcyclohexyl)-2,3-dihydro-1H-inden-1-amine

C18H26FN — CID 83065400

IUPAC4-fluoro-N-(2-propan-2-ylcyclohexyl)-2,3-dihydro-1H-inden-1-amine
SMILESCC(C)C1CCCCC1NC1CCc2c(F)cccc21
InChIInChI=1S/C18H26FN/c1-12(2)13-6-3-4-9-17(13)20-18-11-10-14-15(18)7-5-8-16(14)19/h5,7-8,12-13,17-18,20H,3-4,6,9-11H2,1-2H3
InChIKeyRPWNUYIEOGMHDJ-UHFFFAOYSA-N
MW275.41 g/mol
LogP4.62
Rot. Bonds3

About 4-fluoro-N-(2-propan-2-ylcyclohexyl)-2,3-dihydro-1H-inden-1-amine

4-fluoro-N-(2-propan-2-ylcyclohexyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 83065400) has the molecular formula C18H26FN and a molecular weight of 275.41 g/mol. Its IUPAC name is 4-fluoro-N-(2-propan-2-ylcyclohexyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-fluoro-N-(2-propan-2-ylcyclohexyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID83065400
Molecular FormulaC18H26FN
Molecular Weight275.41 g/mol
Exact Mass275.20
IUPAC Name4-fluoro-N-(2-propan-2-ylcyclohexyl)-2,3-dihydro-1H-inden-1-amine
SMILESCC(C)C1CCCCC1NC1CCc2c(F)cccc21
InChIInChI=1S/C18H26FN/c1-12(2)13-6-3-4-9-17(13)20-18-11-10-14-15(18)7-5-8-16(14)19/h5,7-8,12-13,17-18,20H,3-4,6,9-11H2,1-2H3
InChIKeyRPWNUYIEOGMHDJ-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-propan-2-ylcyclohexyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-fluoro-N-(2-propan-2-ylcyclohexyl)-2,3-dihydro-1H-inden-1-amine (CID 83065400) is 4-fluoro-N-(2-propan-2-ylcyclohexyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-fluoro-N-(2-propan-2-ylcyclohexyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-fluoro-N-(2-propan-2-ylcyclohexyl)-2,3-dihydro-1H-inden-1-amine is CC(C)C1CCCCC1NC1CCc2c(F)cccc21.
What is the InChIKey of 4-fluoro-N-(2-propan-2-ylcyclohexyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is RPWNUYIEOGMHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN/c1-12(2)13-6-3-4-9-17(13)20-18-11-10-14-15(18)7-5-8-16(14)19/h5,7-8,12-13,17-18,20H,3-4,6,9-11H2,1-2H3.
What are the key properties of 4-fluoro-N-(2-propan-2-ylcyclohexyl)-2,3-dihydro-1H-inden-1-amine?
4-fluoro-N-(2-propan-2-ylcyclohexyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 275.41 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-propan-2-ylcyclohexyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 83065400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).