4-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine

C17H17F2N — CID 83067010

IUPAC4-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESC[C@H](NC1CCc2c(F)cccc21)c1ccc(F)cc1
InChIInChI=1S/C17H17F2N/c1-11(12-5-7-13(18)8-6-12)20-17-10-9-14-15(17)3-2-4-16(14)19/h2-8,11,17,20H,9-10H2,1H3/t11-,17?/m0/s1
InChIKeyVOETVRNVFXABBA-PIJUOJQZSA-N
MW273.33 g/mol
LogP4.30
Rot. Bonds3

About 4-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine

4-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 83067010) has the molecular formula C17H17F2N and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID83067010
Molecular FormulaC17H17F2N
Molecular Weight273.33 g/mol
Exact Mass273.13
IUPAC Name4-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESC[C@H](NC1CCc2c(F)cccc21)c1ccc(F)cc1
InChIInChI=1S/C17H17F2N/c1-11(12-5-7-13(18)8-6-12)20-17-10-9-14-15(17)3-2-4-16(14)19/h2-8,11,17,20H,9-10H2,1H3/t11-,17?/m0/s1
InChIKeyVOETVRNVFXABBA-PIJUOJQZSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 78956202
4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 78956060
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83066315
4-fluoro-N-[1-(6-methoxy-3-pyridinyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 166283688
(2R)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114987002
N-[(1R)-1-cyclopentylethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83065507
1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 60945188
4-fluoro-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 79492992
4-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81344887
5-bromo-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 61070069
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide
CID 81327848
(2S)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol
CID 103784055

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 83067010) is 4-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine is C[C@H](NC1CCc2c(F)cccc21)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is VOETVRNVFXABBA-PIJUOJQZSA-N. The full InChI is InChI=1S/C17H17F2N/c1-11(12-5-7-13(18)8-6-12)20-17-10-9-14-15(17)3-2-4-16(14)19/h2-8,11,17,20H,9-10H2,1H3/t11-,17?/m0/s1.
What are the key properties of 4-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
4-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 273.33 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 83067010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).