2-(2,2-difluoroethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine

C12H15F2NO2 — CID 82003939

IUPAC2-(2,2-difluoroethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(N)C(OCC(F)F)C2
InChIInChI=1S/C12H15F2NO2/c1-16-8-3-2-7-4-10(17-6-11(13)14)12(15)9(7)5-8/h2-3,5,10-12H,4,6,15H2,1H3
InChIKeyGDNOOKDLSNQANL-UHFFFAOYSA-N
MW243.25 g/mol
LogP1.90
Rot. Bonds4

About 2-(2,2-difluoroethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine

2-(2,2-difluoroethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 82003939) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine
PubChem CID82003939
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Name2-(2,2-difluoroethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(N)C(OCC(F)F)C2
InChIInChI=1S/C12H15F2NO2/c1-16-8-3-2-7-4-10(17-6-11(13)14)12(15)9(7)5-8/h2-3,5,10-12H,4,6,15H2,1H3
InChIKeyGDNOOKDLSNQANL-UHFFFAOYSA-N
XLogP1.90
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-butoxyethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79374328
2-(5-fluoro-2-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 102981057
2-(2,2-difluoroethoxy)-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82003829
(1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 66798065
2-ethylsulfonyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79374666
7-methoxy-2-(4-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247909
6-methoxy-2-(3-methylcyclohexyl)oxy-2,3-dihydro-1H-inden-1-amine
CID 79374892
2-N-(2,2-dimethylpropyl)-6-methoxy-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79374321
2-ethylsulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79368756
2-(4-fluorophenoxy)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79235063
6-methoxy-2-N-(2-methoxyethyl)-2-N-propan-2-yl-2,3-dihydro-1H-indene-1,2-diamine
CID 82947826
2-N-ethyl-2-N-(2-ethylbutyl)-6-methoxy-2,3-dihydro-1H-indene-1,2-diamine
CID 79370663

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-(2,2-difluoroethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine (CID 82003939) is 2-(2,2-difluoroethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine is COc1ccc2c(c1)C(N)C(OCC(F)F)C2.
What is the InChIKey of 2-(2,2-difluoroethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is GDNOOKDLSNQANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c1-16-8-3-2-7-4-10(17-6-11(13)14)12(15)9(7)5-8/h2-3,5,10-12H,4,6,15H2,1H3.
What are the key properties of 2-(2,2-difluoroethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
2-(2,2-difluoroethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 243.25 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 82003939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).