2-(difluoromethylsulfanyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline

C16H15F2NOS — CID 79218637

IUPAC2-(difluoromethylsulfanyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline
SMILESFC(F)Sc1ccccc1NCC1COc2ccccc21
InChIInChI=1S/C16H15F2NOS/c17-16(18)21-15-8-4-2-6-13(15)19-9-11-10-20-14-7-3-1-5-12(11)14/h1-8,11,16,19H,9-10H2
InChIKeyYOORCVZYPRFAHA-UHFFFAOYSA-N
MW307.37 g/mol
LogP4.59
Rot. Bonds5

About 2-(difluoromethylsulfanyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline

2-(difluoromethylsulfanyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline (PubChem CID 79218637) has the molecular formula C16H15F2NOS and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline
PubChem CID79218637
Molecular FormulaC16H15F2NOS
Molecular Weight307.37 g/mol
Exact Mass307.08
IUPAC Name2-(difluoromethylsulfanyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline
SMILESFC(F)Sc1ccccc1NCC1COc2ccccc21
InChIInChI=1S/C16H15F2NOS/c17-16(18)21-15-8-4-2-6-13(15)19-9-11-10-20-14-7-3-1-5-12(11)14/h1-8,11,16,19H,9-10H2
InChIKeyYOORCVZYPRFAHA-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethoxy)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline
CID 79218655
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-iodoaniline
CID 79226500
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)benzonitrile
CID 79226177
2-(1-chloroethyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline
CID 79229682
4-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2,5-difluoroaniline
CID 107611014
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol
CID 79226581
3,5-dichloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-fluoroaniline
CID 107573888
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-dimethylpyrazol-4-amine
CID 102805247
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanamine
CID 79218793
2-(3,5-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 79218778
1-(2,3-dihydro-1-benzofuran-3-ylmethylamino)pentan-3-ol
CID 113497582
N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine
CID 79226752

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline (CID 79218637) is 2-(difluoromethylsulfanyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline is FC(F)Sc1ccccc1NCC1COc2ccccc21.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline?
The InChIKey is YOORCVZYPRFAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NOS/c17-16(18)21-15-8-4-2-6-13(15)19-9-11-10-20-14-7-3-1-5-12(11)14/h1-8,11,16,19H,9-10H2.
What are the key properties of 2-(difluoromethylsulfanyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline?
2-(difluoromethylsulfanyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline has a molecular weight of 307.37 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline is sourced from PubChem (CID 79218637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).