N-[(1R)-1-cyclopentylethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine

C16H22FN — CID 83065507

IUPACN-[(1R)-1-cyclopentylethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESC[C@@H](NC1CCc2c(F)cccc21)C1CCCC1
InChIInChI=1S/C16H22FN/c1-11(12-5-2-3-6-12)18-16-10-9-13-14(16)7-4-8-15(13)17/h4,7-8,11-12,16,18H,2-3,5-6,9-10H2,1H3/t11-,16?/m1/s1
InChIKeyBZMIZPGAKORSPM-ZVDHGWRTSA-N
MW247.36 g/mol
LogP3.98
Rot. Bonds3

About N-[(1R)-1-cyclopentylethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine

N-[(1R)-1-cyclopentylethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 83065507) has the molecular formula C16H22FN and a molecular weight of 247.36 g/mol. Its IUPAC name is N-[(1R)-1-cyclopentylethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-cyclopentylethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID83065507
Molecular FormulaC16H22FN
Molecular Weight247.36 g/mol
Exact Mass247.17
IUPAC NameN-[(1R)-1-cyclopentylethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESC[C@@H](NC1CCc2c(F)cccc21)C1CCCC1
InChIInChI=1S/C16H22FN/c1-11(12-5-2-3-6-12)18-16-10-9-13-14(16)7-4-8-15(13)17/h4,7-8,11-12,16,18H,2-3,5-6,9-10H2,1H3/t11-,16?/m1/s1
InChIKeyBZMIZPGAKORSPM-ZVDHGWRTSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[(1S)-1-cyclohexylethyl]amino]-2,3-dihydro-1H-inden-4-ol
CID 81384182
1-(1-cyclobutylethylamino)-2,3-dihydro-1H-inden-4-ol
CID 115717656
4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 78956060
(2R)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114987002
4-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 83067010
4-fluoro-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 79492992
N-cyclooctyl-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83065945
4-fluoro-N-(2-propan-2-ylcyclohexyl)-2,3-dihydro-1H-inden-1-amine
CID 83065400
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide
CID 81327848
N-[1-(2,4-difluorophenyl)ethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 78956202
4-fluoro-N-(1-methoxy-3-methylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 79490334
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83066315

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopentylethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(1R)-1-cyclopentylethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine (CID 83065507) is N-[(1R)-1-cyclopentylethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(1R)-1-cyclopentylethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(1R)-1-cyclopentylethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine is C[C@@H](NC1CCc2c(F)cccc21)C1CCCC1.
What is the InChIKey of N-[(1R)-1-cyclopentylethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is BZMIZPGAKORSPM-ZVDHGWRTSA-N. The full InChI is InChI=1S/C16H22FN/c1-11(12-5-2-3-6-12)18-16-10-9-13-14(16)7-4-8-15(13)17/h4,7-8,11-12,16,18H,2-3,5-6,9-10H2,1H3/t11-,16?/m1/s1.
What are the key properties of N-[(1R)-1-cyclopentylethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine?
N-[(1R)-1-cyclopentylethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 247.36 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopentylethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 83065507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).