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

C16H17F2NOS — CID 103463340

IUPAC2-(difluoromethylsulfanyl)-N-(2-methoxy-1-phenylethyl)aniline
SMILESCOCC(Nc1ccccc1SC(F)F)c1ccccc1
InChIInChI=1S/C16H17F2NOS/c1-20-11-14(12-7-3-2-4-8-12)19-13-9-5-6-10-15(13)21-16(17)18/h2-10,14,16,19H,11H2,1H3
InChIKeyBARLFONFXZNNOU-UHFFFAOYSA-N
MW309.38 g/mol
LogP4.80
Rot. Bonds7

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

2-(difluoromethylsulfanyl)-N-(2-methoxy-1-phenylethyl)aniline (PubChem CID 103463340) has the molecular formula C16H17F2NOS and a molecular weight of 309.38 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-(2-methoxy-1-phenylethyl)aniline.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-(2-methoxy-1-phenylethyl)aniline
PubChem CID103463340
Molecular FormulaC16H17F2NOS
Molecular Weight309.38 g/mol
Exact Mass309.10
IUPAC Name2-(difluoromethylsulfanyl)-N-(2-methoxy-1-phenylethyl)aniline
SMILESCOCC(Nc1ccccc1SC(F)F)c1ccccc1
InChIInChI=1S/C16H17F2NOS/c1-20-11-14(12-7-3-2-4-8-12)19-13-9-5-6-10-15(13)21-16(17)18/h2-10,14,16,19H,11H2,1H3
InChIKeyBARLFONFXZNNOU-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

N-(2-methoxy-1-phenylethyl)-2-methylsulfanylaniline
CID 103463701
4-(difluoromethylsulfanyl)-N-(2-methoxy-1-phenylethyl)aniline
CID 103463648
2-[(2-methoxy-1-phenylethyl)amino]benzoic acid
CID 103463586
2-[(dimethylamino)methyl]-N-(2-methoxy-1-phenylethyl)aniline
CID 103463971
2,5-difluoro-N-(2-methoxy-1-phenylethyl)-4-methylaniline
CID 103584618
2-[2-(difluoromethylsulfanyl)anilino]-N-(2-methoxyethyl)propanamide
CID 43088935
4-bromo-2,5-difluoro-N-(2-methoxy-1-phenylethyl)aniline
CID 107609296
2-[2-(difluoromethylsulfanyl)anilino]-2-phenylacetic acid
CID 103232609
N-(2-methoxy-1-phenylethyl)quinolin-5-amine
CID 103463342
2-(difluoromethylsulfanyl)-N-[1-(furan-2-yl)propyl]aniline
CID 62631784
N-(2-methoxy-1-phenylethyl)-4-methylpyridin-3-amine
CID 103464259
2-(difluoromethylsulfanyl)-N-methylaniline
CID 28573572

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-(2-methoxy-1-phenylethyl)aniline?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-(2-methoxy-1-phenylethyl)aniline (CID 103463340) is 2-(difluoromethylsulfanyl)-N-(2-methoxy-1-phenylethyl)aniline.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-(2-methoxy-1-phenylethyl)aniline?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-(2-methoxy-1-phenylethyl)aniline is COCC(Nc1ccccc1SC(F)F)c1ccccc1.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-(2-methoxy-1-phenylethyl)aniline?
The InChIKey is BARLFONFXZNNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NOS/c1-20-11-14(12-7-3-2-4-8-12)19-13-9-5-6-10-15(13)21-16(17)18/h2-10,14,16,19H,11H2,1H3.
What are the key properties of 2-(difluoromethylsulfanyl)-N-(2-methoxy-1-phenylethyl)aniline?
2-(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 2-(difluoromethylsulfanyl)-N-(2-methoxy-1-phenylethyl)aniline is sourced from PubChem (CID 103463340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).