2-(4-fluorophenyl)-2-(3-methoxyphenyl)sulfanylethanamine

C15H16FNOS — CID 55015465

IUPAC2-(4-fluorophenyl)-2-(3-methoxyphenyl)sulfanylethanamine
SMILESCOc1cccc(SC(CN)c2ccc(F)cc2)c1
InChIInChI=1S/C15H16FNOS/c1-18-13-3-2-4-14(9-13)19-15(10-17)11-5-7-12(16)8-6-11/h2-9,15H,10,17H2,1H3
InChIKeyQXONJEZJHSFVIV-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.63
Rot. Bonds5

About 2-(4-fluorophenyl)-2-(3-methoxyphenyl)sulfanylethanamine

2-(4-fluorophenyl)-2-(3-methoxyphenyl)sulfanylethanamine (PubChem CID 55015465) has the molecular formula C15H16FNOS and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(3-methoxyphenyl)sulfanylethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(3-methoxyphenyl)sulfanylethanamine
PubChem CID55015465
Molecular FormulaC15H16FNOS
Molecular Weight277.36 g/mol
Exact Mass277.09
IUPAC Name2-(4-fluorophenyl)-2-(3-methoxyphenyl)sulfanylethanamine
SMILESCOc1cccc(SC(CN)c2ccc(F)cc2)c1
InChIInChI=1S/C15H16FNOS/c1-18-13-3-2-4-14(9-13)19-15(10-17)11-5-7-12(16)8-6-11/h2-9,15H,10,17H2,1H3
InChIKeyQXONJEZJHSFVIV-UHFFFAOYSA-N
XLogP3.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)sulfanyl-2-(4-methylphenyl)ethanamine
CID 55016420
2-(3-methoxyphenyl)-2-phenylsulfanylethanamine
CID 55017885
2-(3-bromophenyl)sulfanyl-2-(3-methoxyphenyl)ethanamine
CID 62804598
2-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 55018268
2-(4-chlorophenyl)sulfanyl-2-(4-methoxyphenyl)ethanamine
CID 55015675
3-(3-methoxyphenyl)sulfanylpentan-1-amine
CID 43530332
2-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 55014987
2-(3-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine
CID 55017982
1-amino-4-(3-methoxyphenyl)sulfanylbutan-2-ol
CID 64813407
2-(4-fluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 82023270
1-(3-methoxyphenyl)sulfanylethanol
CID 53443542
methyl 2-[3-(3-methoxyphenyl)sulfanyl-3-phenylpropyl]sulfanylacetate
CID 70396555

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-(3-methoxyphenyl)sulfanylethanamine?
The IUPAC name of 2-(4-fluorophenyl)-2-(3-methoxyphenyl)sulfanylethanamine (CID 55015465) is 2-(4-fluorophenyl)-2-(3-methoxyphenyl)sulfanylethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(3-methoxyphenyl)sulfanylethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-2-(3-methoxyphenyl)sulfanylethanamine is COc1cccc(SC(CN)c2ccc(F)cc2)c1.
What is the InChIKey of 2-(4-fluorophenyl)-2-(3-methoxyphenyl)sulfanylethanamine?
The InChIKey is QXONJEZJHSFVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNOS/c1-18-13-3-2-4-14(9-13)19-15(10-17)11-5-7-12(16)8-6-11/h2-9,15H,10,17H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-2-(3-methoxyphenyl)sulfanylethanamine?
2-(4-fluorophenyl)-2-(3-methoxyphenyl)sulfanylethanamine has a molecular weight of 277.36 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(3-methoxyphenyl)sulfanylethanamine is sourced from PubChem (CID 55015465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).