7-(4-phenylmethoxy-3-propan-2-ylphenoxy)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-4-amine

C26H26F3NO2 — CID 23031174

IUPAC7-(4-phenylmethoxy-3-propan-2-ylphenoxy)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-4-amine
SMILESCC(C)c1cc(Oc2c(C(F)(F)F)cc(N)c3c2CCC3)ccc1OCc1ccccc1
InChIInChI=1S/C26H26F3NO2/c1-16(2)21-13-18(11-12-24(21)31-15-17-7-4-3-5-8-17)32-25-20-10-6-9-19(20)23(30)14-22(25)26(27,28)29/h3-5,7-8,11-14,16H,6,9-10,15,30H2,1-2H3
InChIKeyRKGHTSSWXJIKOU-UHFFFAOYSA-N
MW441.49 g/mol
LogP7.27
Rot. Bonds6

About 7-(4-phenylmethoxy-3-propan-2-ylphenoxy)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-4-amine

7-(4-phenylmethoxy-3-propan-2-ylphenoxy)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-4-amine (PubChem CID 23031174) has the molecular formula C26H26F3NO2 and a molecular weight of 441.49 g/mol. Its IUPAC name is 7-(4-phenylmethoxy-3-propan-2-ylphenoxy)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-4-amine.

Molecular Properties

Compound Name7-(4-phenylmethoxy-3-propan-2-ylphenoxy)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-4-amine
PubChem CID23031174
Molecular FormulaC26H26F3NO2
Molecular Weight441.49 g/mol
Exact Mass441.19
IUPAC Name7-(4-phenylmethoxy-3-propan-2-ylphenoxy)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-4-amine
SMILESCC(C)c1cc(Oc2c(C(F)(F)F)cc(N)c3c2CCC3)ccc1OCc1ccccc1
InChIInChI=1S/C26H26F3NO2/c1-16(2)21-13-18(11-12-24(21)31-15-17-7-4-3-5-8-17)32-25-20-10-6-9-19(20)23(30)14-22(25)26(27,28)29/h3-5,7-8,11-14,16H,6,9-10,15,30H2,1-2H3
InChIKeyRKGHTSSWXJIKOU-UHFFFAOYSA-N
XLogP7.27
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.49
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(4-phenylmethoxy-3-propan-2-ylphenoxy)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-4-amine?
The IUPAC name of 7-(4-phenylmethoxy-3-propan-2-ylphenoxy)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-4-amine (CID 23031174) is 7-(4-phenylmethoxy-3-propan-2-ylphenoxy)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-4-amine.
What is the SMILES notation for 7-(4-phenylmethoxy-3-propan-2-ylphenoxy)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-4-amine?
The canonical SMILES for 7-(4-phenylmethoxy-3-propan-2-ylphenoxy)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-4-amine is CC(C)c1cc(Oc2c(C(F)(F)F)cc(N)c3c2CCC3)ccc1OCc1ccccc1.
What is the InChIKey of 7-(4-phenylmethoxy-3-propan-2-ylphenoxy)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-4-amine?
The InChIKey is RKGHTSSWXJIKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3NO2/c1-16(2)21-13-18(11-12-24(21)31-15-17-7-4-3-5-8-17)32-25-20-10-6-9-19(20)23(30)14-22(25)26(27,28)29/h3-5,7-8,11-14,16H,6,9-10,15,30H2,1-2H3.
What are the key properties of 7-(4-phenylmethoxy-3-propan-2-ylphenoxy)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-4-amine?
7-(4-phenylmethoxy-3-propan-2-ylphenoxy)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-4-amine has a molecular weight of 441.49 g/mol, XLogP of 7.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-phenylmethoxy-3-propan-2-ylphenoxy)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-4-amine is sourced from PubChem (CID 23031174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).