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

C17H15BrF3N — CID 68614833

IUPACN-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine
SMILESFC(F)(F)c1ccc(Br)c(CNC2Cc3ccccc3C2)c1
InChIInChI=1S/C17H15BrF3N/c18-16-6-5-14(17(19,20)21)7-13(16)10-22-15-8-11-3-1-2-4-12(11)9-15/h1-7,15,22H,8-10H2
InChIKeyBVMAOIHSXHUGFB-UHFFFAOYSA-N
MW370.21 g/mol
LogP4.72
Rot. Bonds3

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

N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 68614833) has the molecular formula C17H15BrF3N and a molecular weight of 370.21 g/mol. Its IUPAC name is N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID68614833
Molecular FormulaC17H15BrF3N
Molecular Weight370.21 g/mol
Exact Mass369.03
IUPAC NameN-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine
SMILESFC(F)(F)c1ccc(Br)c(CNC2Cc3ccccc3C2)c1
InChIInChI=1S/C17H15BrF3N/c18-16-6-5-14(17(19,20)21)7-13(16)10-22-15-8-11-3-1-2-4-12(11)9-15/h1-7,15,22H,8-10H2
InChIKeyBVMAOIHSXHUGFB-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.21
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine (CID 68614833) is N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine is FC(F)(F)c1ccc(Br)c(CNC2Cc3ccccc3C2)c1.
What is the InChIKey of N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is BVMAOIHSXHUGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrF3N/c18-16-6-5-14(17(19,20)21)7-13(16)10-22-15-8-11-3-1-2-4-12(11)9-15/h1-7,15,22H,8-10H2.
What are the key properties of N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine?
N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 370.21 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 68614833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).