2-(2-chlorophenyl)sulfanyl-1-(2,6-difluoro-3-methylphenyl)ethanamine

C15H14ClF2NS — CID 82822306

IUPAC2-(2-chlorophenyl)sulfanyl-1-(2,6-difluoro-3-methylphenyl)ethanamine
SMILESCc1ccc(F)c(C(N)CSc2ccccc2Cl)c1F
InChIInChI=1S/C15H14ClF2NS/c1-9-6-7-11(17)14(15(9)18)12(19)8-20-13-5-3-2-4-10(13)16/h2-7,12H,8,19H2,1H3
InChIKeyXAPDLOWIWPKMSS-UHFFFAOYSA-N
MW313.80 g/mol
LogP4.72
Rot. Bonds4

About 2-(2-chlorophenyl)sulfanyl-1-(2,6-difluoro-3-methylphenyl)ethanamine

2-(2-chlorophenyl)sulfanyl-1-(2,6-difluoro-3-methylphenyl)ethanamine (PubChem CID 82822306) has the molecular formula C15H14ClF2NS and a molecular weight of 313.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-1-(2,6-difluoro-3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-1-(2,6-difluoro-3-methylphenyl)ethanamine
PubChem CID82822306
Molecular FormulaC15H14ClF2NS
Molecular Weight313.80 g/mol
Exact Mass313.05
IUPAC Name2-(2-chlorophenyl)sulfanyl-1-(2,6-difluoro-3-methylphenyl)ethanamine
SMILESCc1ccc(F)c(C(N)CSc2ccccc2Cl)c1F
InChIInChI=1S/C15H14ClF2NS/c1-9-6-7-11(17)14(15(9)18)12(19)8-20-13-5-3-2-4-10(13)16/h2-7,12H,8,19H2,1H3
InChIKeyXAPDLOWIWPKMSS-UHFFFAOYSA-N
XLogP4.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.80
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanamine
CID 66141187
(2,6-dichlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 105027044
1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine
CID 55272041
1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)sulfanylethanol
CID 82823028
1-(2,6-difluoro-3-methylphenyl)but-3-yn-1-amine
CID 114977890
1-(2,6-difluoro-3-methylphenyl)-2-phenoxyethanamine
CID 82822133
1-(2,6-difluoro-3-methylphenyl)-3-phenylpropan-1-amine
CID 82822872
(2S)-2-amino-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride
CID 171209975
(2S)-1-(2-chlorophenyl)sulfanylbutan-2-amine
CID 104932240
2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanamine
CID 64619722
1-(3-chloro-4-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 107560396
(1R)-1-(2,6-difluoro-3-methylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171209954

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(2,6-difluoro-3-methylphenyl)ethanamine?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(2,6-difluoro-3-methylphenyl)ethanamine (CID 82822306) is 2-(2-chlorophenyl)sulfanyl-1-(2,6-difluoro-3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-1-(2,6-difluoro-3-methylphenyl)ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-1-(2,6-difluoro-3-methylphenyl)ethanamine is Cc1ccc(F)c(C(N)CSc2ccccc2Cl)c1F.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-1-(2,6-difluoro-3-methylphenyl)ethanamine?
The InChIKey is XAPDLOWIWPKMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NS/c1-9-6-7-11(17)14(15(9)18)12(19)8-20-13-5-3-2-4-10(13)16/h2-7,12H,8,19H2,1H3.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-1-(2,6-difluoro-3-methylphenyl)ethanamine?
2-(2-chlorophenyl)sulfanyl-1-(2,6-difluoro-3-methylphenyl)ethanamine has a molecular weight of 313.80 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-1-(2,6-difluoro-3-methylphenyl)ethanamine is sourced from PubChem (CID 82822306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).