4-fluoro-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine

C15H20FNO — CID 79484173

IUPAC4-fluoro-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESFc1cccc2c1CCC2NCC1CCCOC1
InChIInChI=1S/C15H20FNO/c16-14-5-1-4-13-12(14)6-7-15(13)17-9-11-3-2-8-18-10-11/h1,4-5,11,15,17H,2-3,6-10H2
InChIKeyXRGINDQCGLYUOL-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.83
Rot. Bonds3

About 4-fluoro-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine

4-fluoro-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 79484173) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 4-fluoro-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-fluoro-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID79484173
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name4-fluoro-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESFc1cccc2c1CCC2NCC1CCCOC1
InChIInChI=1S/C15H20FNO/c16-14-5-1-4-13-12(14)6-7-15(13)17-9-11-3-2-8-18-10-11/h1,4-5,11,15,17H,2-3,6-10H2
InChIKeyXRGINDQCGLYUOL-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-((4-fluorophenyl)methyl)oxan-4-amine
CID 28958487
N-[(2-fluorophenyl)methyl]oxan-4-amine
CID 43608432
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-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)oxan-4-amine
CID 132284002
N-[(3-fluorophenyl)methyl]oxan-4-amine
CID 43608600
N-[[2-(trifluoromethyl)phenyl]methyl]oxan-4-amine
CID 43609727
(9bS)-8-fluoro-2,3,5,9b-tetrahydro-1H-indeno[1,2-b]pyridine
CID 70658396
(3S,4S)-N-benzyl-3-fluorooxan-4-amine
CID 89782416

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-fluoro-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine (CID 79484173) is 4-fluoro-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-fluoro-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-fluoro-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine is Fc1cccc2c1CCC2NCC1CCCOC1.
What is the InChIKey of 4-fluoro-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is XRGINDQCGLYUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c16-14-5-1-4-13-12(14)6-7-15(13)17-9-11-3-2-8-18-10-11/h1,4-5,11,15,17H,2-3,6-10H2.
What are the key properties of 4-fluoro-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
4-fluoro-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 249.33 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(oxan-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79484173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).