1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylethanamine

C16H18FNS — CID 66071589

IUPAC1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylethanamine
SMILESCc1cc(C)cc(C(N)CSc2ccc(F)cc2)c1
InChIInChI=1S/C16H18FNS/c1-11-7-12(2)9-13(8-11)16(18)10-19-15-5-3-14(17)4-6-15/h3-9,16H,10,18H2,1-2H3
InChIKeyJXEAUSUJXNXLKZ-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.23
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylethanamine

1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylethanamine (PubChem CID 66071589) has the molecular formula C16H18FNS and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylethanamine
PubChem CID66071589
Molecular FormulaC16H18FNS
Molecular Weight275.39 g/mol
Exact Mass275.11
IUPAC Name1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylethanamine
SMILESCc1cc(C)cc(C(N)CSc2ccc(F)cc2)c1
InChIInChI=1S/C16H18FNS/c1-11-7-12(2)9-13(8-11)16(18)10-19-15-5-3-14(17)4-6-15/h3-9,16H,10,18H2,1-2H3
InChIKeyJXEAUSUJXNXLKZ-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

1-(5-fluoro-2-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine
CID 66065190
(2S)-1-(4-fluorophenyl)sulfanylpropan-2-amine
CID 95436389
3-[1-amino-2-(4-fluorophenyl)sulfanylethyl]-5-methylpyridin-2-amine
CID 66073260
2-(4-fluorophenyl)sulfanyl-1-thiophen-3-ylethanamine
CID 66072212
2-(4-fluorophenyl)sulfanyl-1-(3-propylphenyl)ethanamine
CID 116544598
2-(4-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 66271230
2-(2,4-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 64559658
2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanol
CID 66071789
2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 66143398
1-(2-chloro-5-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 105395116
2-(4-fluorophenyl)sulfanyl-N-methyl-1-(3-methylphenyl)ethanamine
CID 64620706
2-(4-bromophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 66056882

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylethanamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylethanamine (CID 66071589) is 1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylethanamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylethanamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylethanamine is Cc1cc(C)cc(C(N)CSc2ccc(F)cc2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylethanamine?
The InChIKey is JXEAUSUJXNXLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNS/c1-11-7-12(2)9-13(8-11)16(18)10-19-15-5-3-14(17)4-6-15/h3-9,16H,10,18H2,1-2H3.
What are the key properties of 1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylethanamine?
1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylethanamine 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 1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylethanamine is sourced from PubChem (CID 66071589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).