N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-amine

C17H16F3N — CID 29269409

IUPACN-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-amine
SMILESFC(F)(F)c1ccccc1CNc1ccc2c(c1)CCC2
InChIInChI=1S/C17H16F3N/c18-17(19,20)16-7-2-1-4-14(16)11-21-15-9-8-12-5-3-6-13(12)10-15/h1-2,4,7-10,21H,3,5-6,11H2
InChIKeyIFTAXTDOKYFJAO-UHFFFAOYSA-N
MW291.32 g/mol
LogP4.81
Rot. Bonds3

About N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-amine

N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-amine (PubChem CID 29269409) has the molecular formula C17H16F3N and a molecular weight of 291.32 g/mol. Its IUPAC name is N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-amine
PubChem CID29269409
Molecular FormulaC17H16F3N
Molecular Weight291.32 g/mol
Exact Mass291.12
IUPAC NameN-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-amine
SMILESFC(F)(F)c1ccccc1CNc1ccc2c(c1)CCC2
InChIInChI=1S/C17H16F3N/c18-17(19,20)16-7-2-1-4-14(16)11-21-15-9-8-12-5-3-6-13(12)10-15/h1-2,4,7-10,21H,3,5-6,11H2
InChIKeyIFTAXTDOKYFJAO-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Desethylaprindine
CID 162697

Frequently Asked Questions

What is the IUPAC name of N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-amine (CID 29269409) is N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-amine is FC(F)(F)c1ccccc1CNc1ccc2c(c1)CCC2.
What is the InChIKey of N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-amine?
The InChIKey is IFTAXTDOKYFJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N/c18-17(19,20)16-7-2-1-4-14(16)11-21-15-9-8-12-5-3-6-13(12)10-15/h1-2,4,7-10,21H,3,5-6,11H2.
What are the key properties of N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-amine?
N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-amine has a molecular weight of 291.32 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 29269409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).