1-(5-fluoro-2-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine

C16H18FNS — CID 66065190

IUPAC1-(5-fluoro-2-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine
SMILESCc1ccc(SCC(N)c2cc(F)ccc2C)cc1
InChIInChI=1S/C16H18FNS/c1-11-3-7-14(8-4-11)19-10-16(18)15-9-13(17)6-5-12(15)2/h3-9,16H,10,18H2,1-2H3
InChIKeyXWUFSTDEBZPFBV-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.23
Rot. Bonds4

About 1-(5-fluoro-2-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine

1-(5-fluoro-2-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine (PubChem CID 66065190) has the molecular formula C16H18FNS and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine
PubChem CID66065190
Molecular FormulaC16H18FNS
Molecular Weight275.39 g/mol
Exact Mass275.11
IUPAC Name1-(5-fluoro-2-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine
SMILESCc1ccc(SCC(N)c2cc(F)ccc2C)cc1
InChIInChI=1S/C16H18FNS/c1-11-3-7-14(8-4-11)19-10-16(18)15-9-13(17)6-5-12(15)2/h3-9,16H,10,18H2,1-2H3
InChIKeyXWUFSTDEBZPFBV-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-(3-methylphenyl)sulfanylethanamine
CID 66088925
2-fluoro-1-(5-fluoro-2-methylphenyl)ethanamine
CID 130059756
2-(4-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 66271230
1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylethanamine
CID 66071589
2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 66143398
(1R)-1-(5-fluoro-2-methylphenyl)ethane-1,2-diamine;hydrochloride
CID 66517054
1-(5-fluoro-2-methylphenyl)propan-1-amine;hydrochloride
CID 138110336
1-(2-chloro-5-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 105395116
3-[1-amino-2-(4-fluorophenyl)sulfanylethyl]-5-methylpyridin-2-amine
CID 66073260
1-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine
CID 107560390
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 82771709
1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 82770281

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine (CID 66065190) is 1-(5-fluoro-2-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine is Cc1ccc(SCC(N)c2cc(F)ccc2C)cc1.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine?
The InChIKey is XWUFSTDEBZPFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNS/c1-11-3-7-14(8-4-11)19-10-16(18)15-9-13(17)6-5-12(15)2/h3-9,16H,10,18H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine?
1-(5-fluoro-2-methylphenyl)-2-(4-methylphenyl)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-(5-fluoro-2-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 66065190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).