2-(3-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine

C15H16FNS — CID 79217792

IUPAC2-(3-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
SMILESCSc1ccc(C(N)Cc2cccc(F)c2)cc1
InChIInChI=1S/C15H16FNS/c1-18-14-7-5-12(6-8-14)15(17)10-11-3-2-4-13(16)9-11/h2-9,15H,10,17H2,1H3
InChIKeyZVAVMBFZTCBFMH-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.79
Rot. Bonds4

About 2-(3-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine

2-(3-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine (PubChem CID 79217792) has the molecular formula C15H16FNS and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
PubChem CID79217792
Molecular FormulaC15H16FNS
Molecular Weight261.37 g/mol
Exact Mass261.10
IUPAC Name2-(3-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
SMILESCSc1ccc(C(N)Cc2cccc(F)c2)cc1
InChIInChI=1S/C15H16FNS/c1-18-14-7-5-12(6-8-14)15(17)10-11-3-2-4-13(16)9-11/h2-9,15H,10,17H2,1H3
InChIKeyZVAVMBFZTCBFMH-UHFFFAOYSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylsulfanylphenyl)-2-phenylethanamine
CID 79217379
1-(4-chlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 43184847
2-(3-fluorophenyl)-1-phenylethanamine;hydrochloride
CID 25032833
1,5-bis(3-fluorophenyl)-2,4-bis(4-methylsulfanylphenyl)pentan-3-one
CID 174373565
2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115818932
2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115800677
2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115829883
1-(3-fluorophenyl)-2-(3-methylphenyl)ethanamine
CID 54945902
2-(4-iodophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115864349
2-(3-fluorophenyl)-1-(furan-3-yl)ethanamine
CID 61078347
1-(3-fluorophenyl)-2-phenylethanamine
CID 60818791
1-(5-bromothiophen-3-yl)-2-(3-fluorophenyl)ethanamine
CID 105095905

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine?
The IUPAC name of 2-(3-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine (CID 79217792) is 2-(3-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine is CSc1ccc(C(N)Cc2cccc(F)c2)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine?
The InChIKey is ZVAVMBFZTCBFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNS/c1-18-14-7-5-12(6-8-14)15(17)10-11-3-2-4-13(16)9-11/h2-9,15H,10,17H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine?
2-(3-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine has a molecular weight of 261.37 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 79217792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).