5-fluoro-N-(4-methoxy-2,2-dimethylbutyl)-2,3-dihydro-1H-inden-1-amine

C16H24FNO — CID 104628801

IUPAC5-fluoro-N-(4-methoxy-2,2-dimethylbutyl)-2,3-dihydro-1H-inden-1-amine
SMILESCOCCC(C)(C)CNC1CCc2cc(F)ccc21
InChIInChI=1S/C16H24FNO/c1-16(2,8-9-19-3)11-18-15-7-4-12-10-13(17)5-6-14(12)15/h5-6,10,15,18H,4,7-9,11H2,1-3H3
InChIKeyUZTYMBIFPRUIHL-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.47
Rot. Bonds6

About 5-fluoro-N-(4-methoxy-2,2-dimethylbutyl)-2,3-dihydro-1H-inden-1-amine

5-fluoro-N-(4-methoxy-2,2-dimethylbutyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 104628801) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 5-fluoro-N-(4-methoxy-2,2-dimethylbutyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-fluoro-N-(4-methoxy-2,2-dimethylbutyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID104628801
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name5-fluoro-N-(4-methoxy-2,2-dimethylbutyl)-2,3-dihydro-1H-inden-1-amine
SMILESCOCCC(C)(C)CNC1CCc2cc(F)ccc21
InChIInChI=1S/C16H24FNO/c1-16(2,8-9-19-3)11-18-15-7-4-12-10-13(17)5-6-14(12)15/h5-6,10,15,18H,4,7-9,11H2,1-3H3
InChIKeyUZTYMBIFPRUIHL-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-fluoro-N-(4-methoxy-2,2-dimethylbutyl)-2,3-dihydro-1H-inden-1-amine with MolForge

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Related Compounds

6-methoxy-N-(4-methoxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104628924
5-fluoro-N-(2-methyl-2-phenylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 116530970
2-ethyl-2-[[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]butan-1-ol
CID 103904666
5-fluoro-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-inden-1-amine
CID 116531106
methyl 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 116530837
N-(cyclohexylmethyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116530842
5-fluoro-N-(3-propan-2-yloxypropyl)-2,3-dihydro-1H-inden-1-amine
CID 113259796
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
5-fluoro-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine
CID 115706133
5-fluoro-N-octyl-2,3-dihydro-1H-inden-1-amine
CID 116531093
N-[2-(2,2-difluoroethoxy)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 103082723

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(4-methoxy-2,2-dimethylbutyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-fluoro-N-(4-methoxy-2,2-dimethylbutyl)-2,3-dihydro-1H-inden-1-amine (CID 104628801) is 5-fluoro-N-(4-methoxy-2,2-dimethylbutyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-fluoro-N-(4-methoxy-2,2-dimethylbutyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-fluoro-N-(4-methoxy-2,2-dimethylbutyl)-2,3-dihydro-1H-inden-1-amine is COCCC(C)(C)CNC1CCc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-N-(4-methoxy-2,2-dimethylbutyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is UZTYMBIFPRUIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-16(2,8-9-19-3)11-18-15-7-4-12-10-13(17)5-6-14(12)15/h5-6,10,15,18H,4,7-9,11H2,1-3H3.
What are the key properties of 5-fluoro-N-(4-methoxy-2,2-dimethylbutyl)-2,3-dihydro-1H-inden-1-amine?
5-fluoro-N-(4-methoxy-2,2-dimethylbutyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 265.37 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(4-methoxy-2,2-dimethylbutyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 104628801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).