4-(difluoromethylsulfanyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)aniline

C16H15F2NOS — CID 43804285

IUPAC4-(difluoromethylsulfanyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)aniline
SMILESFC(F)Sc1ccc(NCc2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C16H15F2NOS/c17-16(18)21-14-4-2-13(3-5-14)19-10-11-1-6-15-12(9-11)7-8-20-15/h1-6,9,16,19H,7-8,10H2
InChIKeyIXVUSSURSZOCJT-UHFFFAOYSA-N
MW307.37 g/mol
LogP4.55
Rot. Bonds5

About 4-(difluoromethylsulfanyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)aniline

4-(difluoromethylsulfanyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)aniline (PubChem CID 43804285) has the molecular formula C16H15F2NOS and a molecular weight of 307.37 g/mol. Its IUPAC name is 4-(difluoromethylsulfanyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)aniline.

Molecular Properties

Compound Name4-(difluoromethylsulfanyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)aniline
PubChem CID43804285
Molecular FormulaC16H15F2NOS
Molecular Weight307.37 g/mol
Exact Mass307.08
IUPAC Name4-(difluoromethylsulfanyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)aniline
SMILESFC(F)Sc1ccc(NCc2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C16H15F2NOS/c17-16(18)21-14-4-2-13(3-5-14)19-10-11-1-6-15-12(9-11)7-8-20-15/h1-6,9,16,19H,7-8,10H2
InChIKeyIXVUSSURSZOCJT-UHFFFAOYSA-N
XLogP4.55
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 ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)benzonitrile
CID 43804098
N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732631
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,5-dimethylaniline
CID 43804100
3,5-dichloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoroaniline
CID 107572629
N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 115526259
N-[[4-(difluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732620
3-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methylaniline
CID 63333075
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-ethynylaniline
CID 43803944
(2,3-dihydro-1-benzofuran-5-ylmethylamino)methanethiol
CID 59518007
[4-(difluoromethylsulfanyl)phenyl]-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methanone
CID 30946750
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 62097571
N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 79969298

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfanyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)aniline?
The IUPAC name of 4-(difluoromethylsulfanyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)aniline (CID 43804285) is 4-(difluoromethylsulfanyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)aniline.
What is the SMILES notation for 4-(difluoromethylsulfanyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)aniline?
The canonical SMILES for 4-(difluoromethylsulfanyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)aniline is FC(F)Sc1ccc(NCc2ccc3c(c2)CCO3)cc1.
What is the InChIKey of 4-(difluoromethylsulfanyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)aniline?
The InChIKey is IXVUSSURSZOCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NOS/c17-16(18)21-14-4-2-13(3-5-14)19-10-11-1-6-15-12(9-11)7-8-20-15/h1-6,9,16,19H,7-8,10H2.
What are the key properties of 4-(difluoromethylsulfanyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)aniline?
4-(difluoromethylsulfanyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)aniline has a molecular weight of 307.37 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfanyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)aniline is sourced from PubChem (CID 43804285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).