N-[3-(difluoromethoxy)phenyl]-2,3-dihydro-1H-inden-2-amine

C16H15F2NO — CID 43699139

IUPACN-[3-(difluoromethoxy)phenyl]-2,3-dihydro-1H-inden-2-amine
SMILESFC(F)Oc1cccc(NC2Cc3ccccc3C2)c1
InChIInChI=1S/C16H15F2NO/c17-16(18)20-15-7-3-6-13(10-15)19-14-8-11-4-1-2-5-12(11)9-14/h1-7,10,14,16,19H,8-9H2
InChIKeyGFWCWGLYNUATFR-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.87
Rot. Bonds4

About N-[3-(difluoromethoxy)phenyl]-2,3-dihydro-1H-inden-2-amine

N-[3-(difluoromethoxy)phenyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 43699139) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)phenyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)phenyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID43699139
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC NameN-[3-(difluoromethoxy)phenyl]-2,3-dihydro-1H-inden-2-amine
SMILESFC(F)Oc1cccc(NC2Cc3ccccc3C2)c1
InChIInChI=1S/C16H15F2NO/c17-16(18)20-15-7-3-6-13(10-15)19-14-8-11-4-1-2-5-12(11)9-14/h1-7,10,14,16,19H,8-9H2
InChIKeyGFWCWGLYNUATFR-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)phenyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[3-(difluoromethoxy)phenyl]-2,3-dihydro-1H-inden-2-amine (CID 43699139) is N-[3-(difluoromethoxy)phenyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[3-(difluoromethoxy)phenyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[3-(difluoromethoxy)phenyl]-2,3-dihydro-1H-inden-2-amine is FC(F)Oc1cccc(NC2Cc3ccccc3C2)c1.
What is the InChIKey of N-[3-(difluoromethoxy)phenyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is GFWCWGLYNUATFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c17-16(18)20-15-7-3-6-13(10-15)19-14-8-11-4-1-2-5-12(11)9-14/h1-7,10,14,16,19H,8-9H2.
What are the key properties of N-[3-(difluoromethoxy)phenyl]-2,3-dihydro-1H-inden-2-amine?
N-[3-(difluoromethoxy)phenyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 275.30 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)phenyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 43699139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).