4-(difluoromethylsulfanyl)-N-(2-methoxy-1-phenylethyl)aniline

C16H17F2NOS — CID 103463648

IUPAC4-(difluoromethylsulfanyl)-N-(2-methoxy-1-phenylethyl)aniline
SMILESCOCC(Nc1ccc(SC(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H17F2NOS/c1-20-11-15(12-5-3-2-4-6-12)19-13-7-9-14(10-8-13)21-16(17)18/h2-10,15-16,19H,11H2,1H3
InChIKeyZKNYQBLAUHGMFZ-UHFFFAOYSA-N
MW309.38 g/mol
LogP4.80
Rot. Bonds7

About 4-(difluoromethylsulfanyl)-N-(2-methoxy-1-phenylethyl)aniline

4-(difluoromethylsulfanyl)-N-(2-methoxy-1-phenylethyl)aniline (PubChem CID 103463648) has the molecular formula C16H17F2NOS and a molecular weight of 309.38 g/mol. Its IUPAC name is 4-(difluoromethylsulfanyl)-N-(2-methoxy-1-phenylethyl)aniline.

Molecular Properties

Compound Name4-(difluoromethylsulfanyl)-N-(2-methoxy-1-phenylethyl)aniline
PubChem CID103463648
Molecular FormulaC16H17F2NOS
Molecular Weight309.38 g/mol
Exact Mass309.10
IUPAC Name4-(difluoromethylsulfanyl)-N-(2-methoxy-1-phenylethyl)aniline
SMILESCOCC(Nc1ccc(SC(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H17F2NOS/c1-20-11-15(12-5-3-2-4-6-12)19-13-7-9-14(10-8-13)21-16(17)18/h2-10,15-16,19H,11H2,1H3
InChIKeyZKNYQBLAUHGMFZ-UHFFFAOYSA-N
XLogP4.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethylsulfanyl)-N-(2-methoxy-1-phenylethyl)aniline
CID 103463340
4-butan-2-yl-N-(2-methoxy-1-phenylethyl)aniline
CID 103463690
3-bromo-4-fluoro-N-(2-methoxy-1-phenylethyl)aniline
CID 103464654
3-bromo-N-(2-methoxy-1-phenylethyl)-4-methylaniline
CID 103464261
2-[1-[4-(difluoromethylsulfanyl)anilino]propyl]phenol
CID 43673094
N-(2-methoxy-1-phenylethyl)-4,6-dimethylpyrimidin-2-amine
CID 133403156
N-(2-methoxy-1-phenylethyl)-2-methylsulfanylaniline
CID 103463701
3-bromo-N-(2-methoxy-1-phenylethyl)aniline
CID 103463420
4-(difluoromethylsulfanyl)-N-(4-phenylbutan-2-yl)aniline
CID 43673134
5-[(2-methoxy-1-phenylethyl)amino]pyridine-2-carbonitrile
CID 86781901
3-chloro-4-ethoxy-N-(2-methoxy-1-phenylethyl)aniline
CID 103464030
4-(difluoromethylsulfanyl)-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 43673145

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfanyl)-N-(2-methoxy-1-phenylethyl)aniline?
The IUPAC name of 4-(difluoromethylsulfanyl)-N-(2-methoxy-1-phenylethyl)aniline (CID 103463648) is 4-(difluoromethylsulfanyl)-N-(2-methoxy-1-phenylethyl)aniline.
What is the SMILES notation for 4-(difluoromethylsulfanyl)-N-(2-methoxy-1-phenylethyl)aniline?
The canonical SMILES for 4-(difluoromethylsulfanyl)-N-(2-methoxy-1-phenylethyl)aniline is COCC(Nc1ccc(SC(F)F)cc1)c1ccccc1.
What is the InChIKey of 4-(difluoromethylsulfanyl)-N-(2-methoxy-1-phenylethyl)aniline?
The InChIKey is ZKNYQBLAUHGMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NOS/c1-20-11-15(12-5-3-2-4-6-12)19-13-7-9-14(10-8-13)21-16(17)18/h2-10,15-16,19H,11H2,1H3.
What are the key properties of 4-(difluoromethylsulfanyl)-N-(2-methoxy-1-phenylethyl)aniline?
4-(difluoromethylsulfanyl)-N-(2-methoxy-1-phenylethyl)aniline has a molecular weight of 309.38 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfanyl)-N-(2-methoxy-1-phenylethyl)aniline is sourced from PubChem (CID 103463648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).