2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine

C13H18FN — CID 105460921

IUPAC2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine
SMILESCNC(C)(C)C1CCc2c(F)cccc21
InChIInChI=1S/C13H18FN/c1-13(2,15-3)11-8-7-10-9(11)5-4-6-12(10)14/h4-6,11,15H,7-8H2,1-3H3
InChIKeyOMMOVVPWXITFKT-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.85
Rot. Bonds2

About 2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine

2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine (PubChem CID 105460921) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine
PubChem CID105460921
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine
SMILESCNC(C)(C)C1CCc2c(F)cccc21
InChIInChI=1S/C13H18FN/c1-13(2,15-3)11-8-7-10-9(11)5-4-6-12(10)14/h4-6,11,15H,7-8H2,1-3H3
InChIKeyOMMOVVPWXITFKT-UHFFFAOYSA-N
XLogP2.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(7-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine
CID 105460924
4-fluoro-2,3-dihydro-1H-inden-1-amine;methanamine
CID 175262813
4-fluoro-2,3-dihydro-1H-indene-1-thiol
CID 83070034
N-cyclooctyl-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83065945
N'-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 81302237
4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383392
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)ethanamine
CID 83069908
5-fluoro-1-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115058068
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methylpyrrolidin-3-amine
CID 81494069
N-methyl-2-(6-methyl-2,3-dihydro-1H-inden-1-yl)propan-2-amine
CID 105455820
1-ethylsulfanyl-4-fluoro-2,3-dihydro-1H-indene
CID 130671865
7,12-difluoro-2-propyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 20642739

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine?
The IUPAC name of 2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine (CID 105460921) is 2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine?
The canonical SMILES for 2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine is CNC(C)(C)C1CCc2c(F)cccc21.
What is the InChIKey of 2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine?
The InChIKey is OMMOVVPWXITFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-13(2,15-3)11-8-7-10-9(11)5-4-6-12(10)14/h4-6,11,15H,7-8H2,1-3H3.
What are the key properties of 2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine?
2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine has a molecular weight of 207.29 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 105460921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).