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

C16H14F3NS — CID 43676731

IUPACN-[2-(trifluoromethylsulfanyl)phenyl]-2,3-dihydro-1H-inden-1-amine
SMILESFC(F)(F)Sc1ccccc1NC1CCc2ccccc21
InChIInChI=1S/C16H14F3NS/c17-16(18,19)21-15-8-4-3-7-14(15)20-13-10-9-11-5-1-2-6-12(11)13/h1-8,13,20H,9-10H2
InChIKeyIKMQYYACKHQLRM-UHFFFAOYSA-N
MW309.36 g/mol
LogP5.40
Rot. Bonds3

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

N-[2-(trifluoromethylsulfanyl)phenyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 43676731) has the molecular formula C16H14F3NS and a molecular weight of 309.36 g/mol. Its IUPAC name is N-[2-(trifluoromethylsulfanyl)phenyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[2-(trifluoromethylsulfanyl)phenyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID43676731
Molecular FormulaC16H14F3NS
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC NameN-[2-(trifluoromethylsulfanyl)phenyl]-2,3-dihydro-1H-inden-1-amine
SMILESFC(F)(F)Sc1ccccc1NC1CCc2ccccc21
InChIInChI=1S/C16H14F3NS/c17-16(18,19)21-15-8-4-3-7-14(15)20-13-10-9-11-5-1-2-6-12(11)13/h1-8,13,20H,9-10H2
InChIKeyIKMQYYACKHQLRM-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.36
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(trifluoromethylsulfanyl)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466100
N-(2,3-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43196442
N-(2,3-dimethylcyclohexyl)-2-(trifluoromethylsulfanyl)aniline
CID 64762204
N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-inden-1-amine
CID 24702173
N-(2,6-dibromophenyl)-2,3-dihydro-1H-inden-1-amine
CID 107597542
N-[2-(2-methylpropoxy)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 63453182
N-(2-ethoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43191712
4-fluoro-N-(2-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 83065951
N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43195451
N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 43119403
N-[2-(trifluoromethylsulfanyl)phenyl]thian-3-amine
CID 62871791
1-(2-ethylsulfanylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682192

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethylsulfanyl)phenyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[2-(trifluoromethylsulfanyl)phenyl]-2,3-dihydro-1H-inden-1-amine (CID 43676731) is N-[2-(trifluoromethylsulfanyl)phenyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[2-(trifluoromethylsulfanyl)phenyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[2-(trifluoromethylsulfanyl)phenyl]-2,3-dihydro-1H-inden-1-amine is FC(F)(F)Sc1ccccc1NC1CCc2ccccc21.
What is the InChIKey of N-[2-(trifluoromethylsulfanyl)phenyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is IKMQYYACKHQLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NS/c17-16(18,19)21-15-8-4-3-7-14(15)20-13-10-9-11-5-1-2-6-12(11)13/h1-8,13,20H,9-10H2.
What are the key properties of N-[2-(trifluoromethylsulfanyl)phenyl]-2,3-dihydro-1H-inden-1-amine?
N-[2-(trifluoromethylsulfanyl)phenyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 309.36 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethylsulfanyl)phenyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 43676731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).