4-N-(2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzene-1,4-diamine

C16H15F3N2 — CID 107844421

IUPAC4-N-(2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzene-1,4-diamine
SMILESNc1ccc(NC2Cc3ccccc3C2)cc1C(F)(F)F
InChIInChI=1S/C16H15F3N2/c17-16(18,19)14-9-12(5-6-15(14)20)21-13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13,21H,7-8,20H2
InChIKeyXRDALZCGBZFWHV-UHFFFAOYSA-N
MW292.30 g/mol
LogP3.87
Rot. Bonds2

About 4-N-(2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzene-1,4-diamine

4-N-(2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzene-1,4-diamine (PubChem CID 107844421) has the molecular formula C16H15F3N2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 4-N-(2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzene-1,4-diamine
PubChem CID107844421
Molecular FormulaC16H15F3N2
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name4-N-(2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzene-1,4-diamine
SMILESNc1ccc(NC2Cc3ccccc3C2)cc1C(F)(F)F
InChIInChI=1S/C16H15F3N2/c17-16(18,19)14-9-12(5-6-15(14)20)21-13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13,21H,7-8,20H2
InChIKeyXRDALZCGBZFWHV-UHFFFAOYSA-N
XLogP3.87
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzene-1,4-diamine (CID 107844421) is 4-N-(2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzene-1,4-diamine is Nc1ccc(NC2Cc3ccccc3C2)cc1C(F)(F)F.
What is the InChIKey of 4-N-(2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzene-1,4-diamine?
The InChIKey is XRDALZCGBZFWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2/c17-16(18,19)14-9-12(5-6-15(14)20)21-13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13,21H,7-8,20H2.
What are the key properties of 4-N-(2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzene-1,4-diamine?
4-N-(2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzene-1,4-diamine has a molecular weight of 292.30 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dihydro-1H-inden-2-yl)-2-(trifluoromethyl)benzene-1,4-diamine is sourced from PubChem (CID 107844421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).