1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanamine

C15H15F2NOS — CID 66072105

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanamine
SMILESCOc1ccc(C(N)CSc2cccc(F)c2)cc1F
InChIInChI=1S/C15H15F2NOS/c1-19-15-6-5-10(7-13(15)17)14(18)9-20-12-4-2-3-11(16)8-12/h2-8,14H,9,18H2,1H3
InChIKeyFGRLWPQFHDSWCX-UHFFFAOYSA-N
MW295.35 g/mol
LogP3.77
Rot. Bonds5

About 1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanamine

1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanamine (PubChem CID 66072105) has the molecular formula C15H15F2NOS and a molecular weight of 295.35 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanamine
PubChem CID66072105
Molecular FormulaC15H15F2NOS
Molecular Weight295.35 g/mol
Exact Mass295.08
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanamine
SMILESCOc1ccc(C(N)CSc2cccc(F)c2)cc1F
InChIInChI=1S/C15H15F2NOS/c1-19-15-6-5-10(7-13(15)17)14(18)9-20-12-4-2-3-11(16)8-12/h2-8,14H,9,18H2,1H3
InChIKeyFGRLWPQFHDSWCX-UHFFFAOYSA-N
XLogP3.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-fluorophenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine
CID 66072926
1-(3-fluorophenyl)-2-(2-methoxyphenyl)sulfanylethanamine
CID 107525144
(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 171220989
1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 82770281
(2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine
CID 104889284
1-(3-fluoro-4-methoxyphenyl)-2-(1,2,4-thiadiazol-5-ylsulfanyl)ethanamine
CID 107525456
(1S)-3-fluoro-1-(3-fluoro-4-methoxyphenyl)propan-1-amine;hydrochloride
CID 171221010
3-[2-amino-2-(3-fluoro-4-methoxyphenyl)ethyl]sulfanyl-2-methylpropan-1-ol
CID 107525316
2-(3-bromophenyl)sulfanyl-1-(4-chloro-3-methoxyphenyl)ethanamine
CID 79699921
2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)ethanamine
CID 66160196
2-[2-(diethylamino)ethylsulfanyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 107525302
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-1-ol
CID 116861391

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanamine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanamine (CID 66072105) is 1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanamine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanamine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanamine is COc1ccc(C(N)CSc2cccc(F)c2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanamine?
The InChIKey is FGRLWPQFHDSWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NOS/c1-19-15-6-5-10(7-13(15)17)14(18)9-20-12-4-2-3-11(16)8-12/h2-8,14H,9,18H2,1H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanamine?
1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanamine has a molecular weight of 295.35 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanamine is sourced from PubChem (CID 66072105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).