N-methyl-5-(3,3,3-trifluoropropoxy)-2,3-dihydro-1H-inden-1-amine

C13H16F3NO — CID 107683376

IUPACN-methyl-5-(3,3,3-trifluoropropoxy)-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2cc(OCCC(F)(F)F)ccc21
InChIInChI=1S/C13H16F3NO/c1-17-12-5-2-9-8-10(3-4-11(9)12)18-7-6-13(14,15)16/h3-4,8,12,17H,2,5-7H2,1H3
InChIKeyFWNNHVZWUUPJHM-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.22
Rot. Bonds4

About N-methyl-5-(3,3,3-trifluoropropoxy)-2,3-dihydro-1H-inden-1-amine

N-methyl-5-(3,3,3-trifluoropropoxy)-2,3-dihydro-1H-inden-1-amine (PubChem CID 107683376) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is N-methyl-5-(3,3,3-trifluoropropoxy)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-methyl-5-(3,3,3-trifluoropropoxy)-2,3-dihydro-1H-inden-1-amine
PubChem CID107683376
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC NameN-methyl-5-(3,3,3-trifluoropropoxy)-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2cc(OCCC(F)(F)F)ccc21
InChIInChI=1S/C13H16F3NO/c1-17-12-5-2-9-8-10(3-4-11(9)12)18-7-6-13(14,15)16/h3-4,8,12,17H,2,5-7H2,1H3
InChIKeyFWNNHVZWUUPJHM-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butan-2-ol
CID 107683344
5-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pentan-1-ol
CID 107683313
1,1,1-trifluoro-3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propan-2-ol
CID 107683257
6-(3-methoxy-3-methylbutoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103032754
N-methyl-5-(2-methylpropoxy)-2,3-dihydro-1H-inden-1-amine
CID 107683424
N-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butanamide
CID 107683326
6-hexoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55194028
5-[(2,3-difluorophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683246
5-[(5-chloro-2-fluorophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683270
N-methyl-5-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine
CID 107683402
1-[2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]imidazolidin-2-one
CID 107683575
ethyl 2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetate
CID 107683229

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(3,3,3-trifluoropropoxy)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-methyl-5-(3,3,3-trifluoropropoxy)-2,3-dihydro-1H-inden-1-amine (CID 107683376) is N-methyl-5-(3,3,3-trifluoropropoxy)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-methyl-5-(3,3,3-trifluoropropoxy)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-methyl-5-(3,3,3-trifluoropropoxy)-2,3-dihydro-1H-inden-1-amine is CNC1CCc2cc(OCCC(F)(F)F)ccc21.
What is the InChIKey of N-methyl-5-(3,3,3-trifluoropropoxy)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is FWNNHVZWUUPJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-17-12-5-2-9-8-10(3-4-11(9)12)18-7-6-13(14,15)16/h3-4,8,12,17H,2,5-7H2,1H3.
What are the key properties of N-methyl-5-(3,3,3-trifluoropropoxy)-2,3-dihydro-1H-inden-1-amine?
N-methyl-5-(3,3,3-trifluoropropoxy)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 259.27 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(3,3,3-trifluoropropoxy)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 107683376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).