1-(2,3-difluorophenyl)-2-(3-methylphenyl)sulfanylethanamine

C15H15F2NS — CID 66086989

IUPAC1-(2,3-difluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
SMILESCc1cccc(SCC(N)c2cccc(F)c2F)c1
InChIInChI=1S/C15H15F2NS/c1-10-4-2-5-11(8-10)19-9-14(18)12-6-3-7-13(16)15(12)17/h2-8,14H,9,18H2,1H3
InChIKeyPYWUTTHUIJEUCP-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.07
Rot. Bonds4

About 1-(2,3-difluorophenyl)-2-(3-methylphenyl)sulfanylethanamine

1-(2,3-difluorophenyl)-2-(3-methylphenyl)sulfanylethanamine (PubChem CID 66086989) has the molecular formula C15H15F2NS and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-2-(3-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
PubChem CID66086989
Molecular FormulaC15H15F2NS
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name1-(2,3-difluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
SMILESCc1cccc(SCC(N)c2cccc(F)c2F)c1
InChIInChI=1S/C15H15F2NS/c1-10-4-2-5-11(8-10)19-9-14(18)12-6-3-7-13(16)15(12)17/h2-8,14H,9,18H2,1H3
InChIKeyPYWUTTHUIJEUCP-UHFFFAOYSA-N
XLogP4.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanamine
CID 66160984
1-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66088925
1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 82770281
1-(2-chloro-5-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 105395116
2-(3-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 66086595
1-(4-chlorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086016
2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102832948
2-(3-bromophenyl)sulfanyl-1-(2-fluorophenyl)ethanamine
CID 66160199
ethane;1-(3-methylphenyl)sulfanylpropan-2-amine
CID 145087254
1-(2,2-difluoroethylsulfanyl)-3-methylbenzene
CID 130741881
2-(2-chlorophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanamine
CID 66141187
1-(2,3-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826541

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-2-(3-methylphenyl)sulfanylethanamine?
The IUPAC name of 1-(2,3-difluorophenyl)-2-(3-methylphenyl)sulfanylethanamine (CID 66086989) is 1-(2,3-difluorophenyl)-2-(3-methylphenyl)sulfanylethanamine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-2-(3-methylphenyl)sulfanylethanamine?
The canonical SMILES for 1-(2,3-difluorophenyl)-2-(3-methylphenyl)sulfanylethanamine is Cc1cccc(SCC(N)c2cccc(F)c2F)c1.
What is the InChIKey of 1-(2,3-difluorophenyl)-2-(3-methylphenyl)sulfanylethanamine?
The InChIKey is PYWUTTHUIJEUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NS/c1-10-4-2-5-11(8-10)19-9-14(18)12-6-3-7-13(16)15(12)17/h2-8,14H,9,18H2,1H3.
What are the key properties of 1-(2,3-difluorophenyl)-2-(3-methylphenyl)sulfanylethanamine?
1-(2,3-difluorophenyl)-2-(3-methylphenyl)sulfanylethanamine has a molecular weight of 279.36 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-2-(3-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 66086989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).