N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethyl)aniline

C16H15F3N2 — CID 105357849

IUPACN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccccc1NCc1ccc2c(c1)CNC2
InChIInChI=1S/C16H15F3N2/c17-16(18,19)14-3-1-2-4-15(14)21-8-11-5-6-12-9-20-10-13(12)7-11/h1-7,20-21H,8-10H2
InChIKeyVQLXYYJSUGTOOS-UHFFFAOYSA-N
MW292.30 g/mol
LogP3.92
Rot. Bonds3

About N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethyl)aniline

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethyl)aniline (PubChem CID 105357849) has the molecular formula C16H15F3N2 and a molecular weight of 292.30 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethyl)aniline
PubChem CID105357849
Molecular FormulaC16H15F3N2
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccccc1NCc1ccc2c(c1)CNC2
InChIInChI=1S/C16H15F3N2/c17-16(18,19)14-3-1-2-4-15(14)21-8-11-5-6-12-9-20-10-13(12)7-11/h1-7,20-21H,8-10H2
InChIKeyVQLXYYJSUGTOOS-UHFFFAOYSA-N
XLogP3.92
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 120723910
2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzenesulfonamide
CID 105357791
2,6-difluoro-4-[[2-(trifluoromethyl)anilino]methyl]phenol
CID 79881281
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-methyl-3-nitroaniline
CID 105357813
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-fluoro-4-nitroaniline
CID 105358185
2-bromo-4-(2,3-dihydro-1H-isoindol-5-ylmethylamino)-3-fluorobenzonitrile
CID 107537786
5-bromo-2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzonitrile
CID 105357850
N-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 57053540
N-[[4-bromo-3-(trifluoromethyl)phenyl]methyl]-2-methylaniline
CID 173173608
N-[(4-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)aniline
CID 28972863
4-(aminomethyl)-N-benzyl-2-(trifluoromethyl)aniline
CID 152566871
N-[(4,5-dibromofuran-2-yl)methyl]-2-(trifluoromethyl)aniline
CID 63419478

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethyl)aniline?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethyl)aniline (CID 105357849) is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethyl)aniline?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethyl)aniline is FC(F)(F)c1ccccc1NCc1ccc2c(c1)CNC2.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethyl)aniline?
The InChIKey is VQLXYYJSUGTOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2/c17-16(18,19)14-3-1-2-4-15(14)21-8-11-5-6-12-9-20-10-13(12)7-11/h1-7,20-21H,8-10H2.
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethyl)aniline?
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethyl)aniline has a molecular weight of 292.30 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 105357849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).