1-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine

C16H18FNS — CID 66088925

IUPAC1-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine
SMILESCc1cccc(SCC(N)c2cc(F)ccc2C)c1
InChIInChI=1S/C16H18FNS/c1-11-4-3-5-14(8-11)19-10-16(18)15-9-13(17)7-6-12(15)2/h3-9,16H,10,18H2,1-2H3
InChIKeyOOKYZJSJPVSSKB-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.23
Rot. Bonds4

About 1-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine

1-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine (PubChem CID 66088925) has the molecular formula C16H18FNS and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine
PubChem CID66088925
Molecular FormulaC16H18FNS
Molecular Weight275.39 g/mol
Exact Mass275.11
IUPAC Name1-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine
SMILESCc1cccc(SCC(N)c2cc(F)ccc2C)c1
InChIInChI=1S/C16H18FNS/c1-11-4-3-5-14(8-11)19-10-16(18)15-9-13(17)7-6-12(15)2/h3-9,16H,10,18H2,1-2H3
InChIKeyOOKYZJSJPVSSKB-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-(2-chloro-5-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 105395116
1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 82770281
1-(5-fluoro-2-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine
CID 66065190
2-(3-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 66086595
1-(2,3-difluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086989
2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102832948
2-(3-fluorophenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine
CID 66072926
2-fluoro-1-(5-fluoro-2-methylphenyl)ethanamine
CID 130059756
3-[1-amino-2-(3-fluorophenyl)sulfanylethyl]-5-methylpyridin-2-amine
CID 66072309
1-(4-chlorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086016
1-(2,5-dimethylphenyl)-2-(3-methylphenyl)sulfanylethanol
CID 66088132
ethane;1-(3-methylphenyl)sulfanylpropan-2-amine
CID 145087254

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine (CID 66088925) is 1-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine is Cc1cccc(SCC(N)c2cc(F)ccc2C)c1.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine?
The InChIKey is OOKYZJSJPVSSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNS/c1-11-4-3-5-14(8-11)19-10-16(18)15-9-13(17)7-6-12(15)2/h3-9,16H,10,18H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine?
1-(5-fluoro-2-methylphenyl)-2-(3-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-(3-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 66088925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).