5-fluoro-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-inden-1-amine

C13H18FNO — CID 116531106

IUPAC5-fluoro-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-inden-1-amine
SMILESCC(C)(C)ONC1CCc2cc(F)ccc21
InChIInChI=1S/C13H18FNO/c1-13(2,3)16-15-12-7-4-9-8-10(14)5-6-11(9)12/h5-6,8,12,15H,4,7H2,1-3H3
InChIKeyOKLTWMMRPIPOQN-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.13
Rot. Bonds2

About 5-fluoro-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-inden-1-amine

5-fluoro-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-inden-1-amine (PubChem CID 116531106) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 5-fluoro-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-fluoro-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-inden-1-amine
PubChem CID116531106
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name5-fluoro-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-inden-1-amine
SMILESCC(C)(C)ONC1CCc2cc(F)ccc21
InChIInChI=1S/C13H18FNO/c1-13(2,3)16-15-12-7-4-9-8-10(14)5-6-11(9)12/h5-6,8,12,15H,4,7H2,1-3H3
InChIKeyOKLTWMMRPIPOQN-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[1-[(2-methylpropan-2-yl)oxyamino]-2,3-dihydro-1H-inden-5-yl]carbamate
CID 103867686
5-fluoro-N-(4-methoxy-2,2-dimethylbutyl)-2,3-dihydro-1H-inden-1-amine
CID 104628801
5-fluoro-N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine
CID 116531102
5-fluoro-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine
CID 115706133
N-(2-tert-butylphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116530861
N-(4-ethoxyphenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115915933
5-fluoro-N-(2-methyl-2-phenylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 116530970
N-(3-ethoxycyclobutyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 103917688
N-cyclooctyl-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116530769
2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropan-1-ol
CID 105461969
1-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-4,4-dimethylpentan-2-ol
CID 103784366
5-fluoro-N-[2-(2-methylpropoxy)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 115713623

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-fluoro-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-inden-1-amine (CID 116531106) is 5-fluoro-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-fluoro-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-fluoro-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-inden-1-amine is CC(C)(C)ONC1CCc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is OKLTWMMRPIPOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-13(2,3)16-15-12-7-4-9-8-10(14)5-6-11(9)12/h5-6,8,12,15H,4,7H2,1-3H3.
What are the key properties of 5-fluoro-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-inden-1-amine?
5-fluoro-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 223.29 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 116531106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).