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

C15H20FNO — CID 81297681

IUPAC4-fluoro-N-[2-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESFc1cccc2c1CCC2NCCC1CCCO1
InChIInChI=1S/C15H20FNO/c16-14-5-1-4-13-12(14)6-7-15(13)17-9-8-11-3-2-10-18-11/h1,4-5,11,15,17H,2-3,6-10H2
InChIKeyGIJIOXRHVRSOPB-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.97
Rot. Bonds4

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

4-fluoro-N-[2-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 81297681) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 4-fluoro-N-[2-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-fluoro-N-[2-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID81297681
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name4-fluoro-N-[2-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESFc1cccc2c1CCC2NCCC1CCCO1
InChIInChI=1S/C15H20FNO/c16-14-5-1-4-13-12(14)6-7-15(13)17-9-8-11-3-2-10-18-11/h1,4-5,11,15,17H,2-3,6-10H2
InChIKeyGIJIOXRHVRSOPB-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Indan-1-ylamino)-cyclohexanol
CID 15925776
3-[(2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 43182895
N-(2-ethoxyethyl)-2,3-dihydro-1H-inden-1-amine hydrochloride
CID 126810075
[(3-Fluoro-2-methylphenyl)methyl][(oxolan-3-yl)methyl]amine
CID 155820598
2-cyclopropyl-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)oxolan-3-amine
CID 103905870
N-[3-[(3S)-oxolan-3-yl]propyl]-2,3-dihydro-1H-inden-2-amine
CID 95138297
N-(3,3-dimethyl-1,2-dihydroinden-1-yl)oxolan-3-amine
CID 132345146
(2R)-4-(3,5-difluorophenyl)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]butan-2-ol
CID 68608195
(2R)-4-(3,5-difluorophenyl)-1-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]butan-2-ol
CID 68608558
N-[(3,4-difluoro-2-methylphenyl)-fluoromethyl]oxan-4-amine
CID 121283452
5,7-difluoro-N-[(2-methylpropan-2-yl)oxymethyl]-2,3-dihydro-1H-inden-1-amine
CID 134345847
3-(2,3-dihydro-1H-inden-1-ylamino)-3-(4-fluorophenyl)propan-1-ol
CID 141103421

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-fluoro-N-[2-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 81297681) is 4-fluoro-N-[2-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-fluoro-N-[2-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-fluoro-N-[2-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is Fc1cccc2c1CCC2NCCC1CCCO1.
What is the InChIKey of 4-fluoro-N-[2-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is GIJIOXRHVRSOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c16-14-5-1-4-13-12(14)6-7-15(13)17-9-8-11-3-2-10-18-11/h1,4-5,11,15,17H,2-3,6-10H2.
What are the key properties of 4-fluoro-N-[2-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
4-fluoro-N-[2-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 249.33 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 81297681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).