2-(2-fluorophenoxy)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine

C17H18FNO2 — CID 79370319

IUPAC2-(2-fluorophenoxy)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2cc(OC)ccc2CC1Oc1ccccc1F
InChIInChI=1S/C17H18FNO2/c1-19-17-13-10-12(20-2)8-7-11(13)9-16(17)21-15-6-4-3-5-14(15)18/h3-8,10,16-17,19H,9H2,1-2H3
InChIKeyUCLKURSPJRNMQU-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.10
Rot. Bonds4

About 2-(2-fluorophenoxy)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine

2-(2-fluorophenoxy)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 79370319) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID79370319
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name2-(2-fluorophenoxy)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2cc(OC)ccc2CC1Oc1ccccc1F
InChIInChI=1S/C17H18FNO2/c1-19-17-13-10-12(20-2)8-7-11(13)9-16(17)21-15-6-4-3-5-14(15)18/h3-8,10,16-17,19H,9H2,1-2H3
InChIKeyUCLKURSPJRNMQU-UHFFFAOYSA-N
XLogP3.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-(2-fluorophenoxy)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 79370319) is 2-(2-fluorophenoxy)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-(2-fluorophenoxy)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-(2-fluorophenoxy)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine is CNC1c2cc(OC)ccc2CC1Oc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenoxy)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is UCLKURSPJRNMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-19-17-13-10-12(20-2)8-7-11(13)9-16(17)21-15-6-4-3-5-14(15)18/h3-8,10,16-17,19H,9H2,1-2H3.
What are the key properties of 2-(2-fluorophenoxy)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine?
2-(2-fluorophenoxy)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 287.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79370319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).