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

C16H14F3NO — CID 43512861

IUPACN-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-inden-2-amine
SMILESFC(F)(F)Oc1cccc(NC2Cc3ccccc3C2)c1
InChIInChI=1S/C16H14F3NO/c17-16(18,19)21-15-7-3-6-13(10-15)20-14-8-11-4-1-2-5-12(11)9-14/h1-7,10,14,20H,8-9H2
InChIKeyAKQSGTLZHLCFKI-UHFFFAOYSA-N
MW293.29 g/mol
LogP4.16
Rot. Bonds3

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

N-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 43512861) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is N-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID43512861
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC NameN-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-inden-2-amine
SMILESFC(F)(F)Oc1cccc(NC2Cc3ccccc3C2)c1
InChIInChI=1S/C16H14F3NO/c17-16(18,19)21-15-7-3-6-13(10-15)20-14-8-11-4-1-2-5-12(11)9-14/h1-7,10,14,20H,8-9H2
InChIKeyAKQSGTLZHLCFKI-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-inden-2-amine (CID 43512861) is N-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-inden-2-amine is FC(F)(F)Oc1cccc(NC2Cc3ccccc3C2)c1.
What is the InChIKey of N-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is AKQSGTLZHLCFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO/c17-16(18,19)21-15-7-3-6-13(10-15)20-14-8-11-4-1-2-5-12(11)9-14/h1-7,10,14,20H,8-9H2.
What are the key properties of N-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-inden-2-amine?
N-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 293.29 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 43512861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).