2-(3,4-dimethylphenyl)sulfanyl-2-(4-fluorophenyl)ethanamine

C16H18FNS — CID 55014937

IUPAC2-(3,4-dimethylphenyl)sulfanyl-2-(4-fluorophenyl)ethanamine
SMILESCc1ccc(SC(CN)c2ccc(F)cc2)cc1C
InChIInChI=1S/C16H18FNS/c1-11-3-8-15(9-12(11)2)19-16(10-18)13-4-6-14(17)7-5-13/h3-9,16H,10,18H2,1-2H3
InChIKeyRXQBGTJHDKFGPK-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.23
Rot. Bonds4

About 2-(3,4-dimethylphenyl)sulfanyl-2-(4-fluorophenyl)ethanamine

2-(3,4-dimethylphenyl)sulfanyl-2-(4-fluorophenyl)ethanamine (PubChem CID 55014937) has the molecular formula C16H18FNS and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)sulfanyl-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)sulfanyl-2-(4-fluorophenyl)ethanamine
PubChem CID55014937
Molecular FormulaC16H18FNS
Molecular Weight275.39 g/mol
Exact Mass275.11
IUPAC Name2-(3,4-dimethylphenyl)sulfanyl-2-(4-fluorophenyl)ethanamine
SMILESCc1ccc(SC(CN)c2ccc(F)cc2)cc1C
InChIInChI=1S/C16H18FNS/c1-11-3-8-15(9-12(11)2)19-16(10-18)13-4-6-14(17)7-5-13/h3-9,16H,10,18H2,1-2H3
InChIKeyRXQBGTJHDKFGPK-UHFFFAOYSA-N
XLogP4.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)sulfanyl-2-(4-methylphenyl)ethanamine
CID 55016654
2-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 55014987
2-(4-fluorophenyl)-2-(3-methoxyphenyl)sulfanylethanamine
CID 55015465
2-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 82023265
2-(4-fluorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine
CID 62253274
2-(4-methylphenyl)-2-phenylsulfanylethanamine
CID 55016324
3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-amine
CID 105374999
2-(2,5-dimethylphenyl)sulfanyl-2-phenylethanamine
CID 55017309
4-[1-(3,4-dimethylphenyl)sulfanylethyl]aniline
CID 61261294
2-(3-methoxyphenyl)sulfanyl-2-(4-methylphenyl)ethanamine
CID 55016420
2-amino-2-(3,4-dimethylphenyl)sulfanylethanol
CID 117034622
1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 43149151

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)sulfanyl-2-(4-fluorophenyl)ethanamine?
The IUPAC name of 2-(3,4-dimethylphenyl)sulfanyl-2-(4-fluorophenyl)ethanamine (CID 55014937) is 2-(3,4-dimethylphenyl)sulfanyl-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)sulfanyl-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethylphenyl)sulfanyl-2-(4-fluorophenyl)ethanamine is Cc1ccc(SC(CN)c2ccc(F)cc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)sulfanyl-2-(4-fluorophenyl)ethanamine?
The InChIKey is RXQBGTJHDKFGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNS/c1-11-3-8-15(9-12(11)2)19-16(10-18)13-4-6-14(17)7-5-13/h3-9,16H,10,18H2,1-2H3.
What are the key properties of 2-(3,4-dimethylphenyl)sulfanyl-2-(4-fluorophenyl)ethanamine?
2-(3,4-dimethylphenyl)sulfanyl-2-(4-fluorophenyl)ethanamine has a molecular weight of 275.39 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)sulfanyl-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 55014937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).