2-(difluoromethylsulfanyl)-N-(2-morpholin-4-ylethyl)aniline

C13H18F2N2OS — CID 28573655

IUPAC2-(difluoromethylsulfanyl)-N-(2-morpholin-4-ylethyl)aniline
SMILESFC(F)Sc1ccccc1NCCN1CCOCC1
InChIInChI=1S/C13H18F2N2OS/c14-13(15)19-12-4-2-1-3-11(12)16-5-6-17-7-9-18-10-8-17/h1-4,13,16H,5-10H2
InChIKeyMTDGGQYPGIEHNR-UHFFFAOYSA-N
MW288.36 g/mol
LogP2.75
Rot. Bonds6

About 2-(difluoromethylsulfanyl)-N-(2-morpholin-4-ylethyl)aniline

2-(difluoromethylsulfanyl)-N-(2-morpholin-4-ylethyl)aniline (PubChem CID 28573655) has the molecular formula C13H18F2N2OS and a molecular weight of 288.36 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-(2-morpholin-4-ylethyl)aniline.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-(2-morpholin-4-ylethyl)aniline
PubChem CID28573655
Molecular FormulaC13H18F2N2OS
Molecular Weight288.36 g/mol
Exact Mass288.11
IUPAC Name2-(difluoromethylsulfanyl)-N-(2-morpholin-4-ylethyl)aniline
SMILESFC(F)Sc1ccccc1NCCN1CCOCC1
InChIInChI=1S/C13H18F2N2OS/c14-13(15)19-12-4-2-1-3-11(12)16-5-6-17-7-9-18-10-8-17/h1-4,13,16H,5-10H2
InChIKeyMTDGGQYPGIEHNR-UHFFFAOYSA-N
XLogP2.75
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2736895
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CID 3610339
N-(2-methylsulfanylphenyl)morpholine-4-carboxamide
CID 24103316
4-(difluoromethylsulfonyl)-N-(2-methyl-2-morpholin-4-ylpropyl)aniline
CID 47046016
2-(difluoromethylsulfonyl)-N-(2-methyl-2-morpholin-4-ylpropyl)aniline
CID 53542676
2-morpholin-4-yl-N-(2-phenothiazin-10-ylethyl)ethanamine
CID 171342286
N-(2-morpholin-4-ylethyl)-3-phenothiazin-10-ylpropan-1-amine
CID 171347502
1-[2-(Propylsulfanyl)phenyl]piperazine
CID 266412
2-fluoro-N-(2-(morpholin-4-yl)ethyl)aniline
CID 28581820
2-(2-morpholin-4-ylethylamino)-N-(2-phenylsulfanylphenyl)acetamide
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CID 2119422

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-(2-morpholin-4-ylethyl)aniline?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-(2-morpholin-4-ylethyl)aniline (CID 28573655) is 2-(difluoromethylsulfanyl)-N-(2-morpholin-4-ylethyl)aniline.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-(2-morpholin-4-ylethyl)aniline?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-(2-morpholin-4-ylethyl)aniline is FC(F)Sc1ccccc1NCCN1CCOCC1.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-(2-morpholin-4-ylethyl)aniline?
The InChIKey is MTDGGQYPGIEHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2OS/c14-13(15)19-12-4-2-1-3-11(12)16-5-6-17-7-9-18-10-8-17/h1-4,13,16H,5-10H2.
What are the key properties of 2-(difluoromethylsulfanyl)-N-(2-morpholin-4-ylethyl)aniline?
2-(difluoromethylsulfanyl)-N-(2-morpholin-4-ylethyl)aniline has a molecular weight of 288.36 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-(2-morpholin-4-ylethyl)aniline is sourced from PubChem (CID 28573655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).