2-(2,3-dihydro-1H-inden-5-yloxymethyl)-3,3,3-trifluoropropan-1-amine

C13H16F3NO — CID 103366723

IUPAC2-(2,3-dihydro-1H-inden-5-yloxymethyl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(COc1ccc2c(c1)CCC2)C(F)(F)F
InChIInChI=1S/C13H16F3NO/c14-13(15,16)11(7-17)8-18-12-5-4-9-2-1-3-10(9)6-12/h4-6,11H,1-3,7-8,17H2
InChIKeyUAQIALIUTVUKOU-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.69
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-5-yloxymethyl)-3,3,3-trifluoropropan-1-amine

2-(2,3-dihydro-1H-inden-5-yloxymethyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 103366723) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxymethyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxymethyl)-3,3,3-trifluoropropan-1-amine
PubChem CID103366723
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxymethyl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(COc1ccc2c(c1)CCC2)C(F)(F)F
InChIInChI=1S/C13H16F3NO/c14-13(15,16)11(7-17)8-18-12-5-4-9-2-1-3-10(9)6-12/h4-6,11H,1-3,7-8,17H2
InChIKeyUAQIALIUTVUKOU-UHFFFAOYSA-N
XLogP2.69
TPSA35.25 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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-bromo-3,3,3-trifluoropropoxy)-1,2,3,4-tetrahydronaphthalene
CID 64757499
3,3,3-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 61398898
5-[3,3,3-trifluoro-2-[(3-phenoxyphenyl)methoxymethyl]propoxy]-2,3-dihydro-1H-indene
CID 14500179
2-[(4-bromo-3-methylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366836
1-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ylhydrazine
CID 82283353
1-amino-4-(2,3-dihydro-1H-inden-5-yloxy)-2-methylbutan-2-ol
CID 64814616
3-N,3-N-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butane-1,3-diamine
CID 112501002
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1,1,1-trifluoromethanesulfonamide
CID 176697938
3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62459279
1-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-ol
CID 62041508
3-(2,3-dihydro-1H-inden-5-yloxy)-2-ethoxypropanoic acid
CID 63072782
2-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbutan-1-amine
CID 62459614

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxymethyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxymethyl)-3,3,3-trifluoropropan-1-amine (CID 103366723) is 2-(2,3-dihydro-1H-inden-5-yloxymethyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxymethyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxymethyl)-3,3,3-trifluoropropan-1-amine is NCC(COc1ccc2c(c1)CCC2)C(F)(F)F.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxymethyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is UAQIALIUTVUKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)11(7-17)8-18-12-5-4-9-2-1-3-10(9)6-12/h4-6,11H,1-3,7-8,17H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxymethyl)-3,3,3-trifluoropropan-1-amine?
2-(2,3-dihydro-1H-inden-5-yloxymethyl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 259.27 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxymethyl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 103366723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).