1-(2-chloro-5-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine

C15H15ClFNS — CID 105395116

IUPAC1-(2-chloro-5-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
SMILESCc1cccc(SCC(N)c2cc(F)ccc2Cl)c1
InChIInChI=1S/C15H15ClFNS/c1-10-3-2-4-12(7-10)19-9-15(18)13-8-11(17)5-6-14(13)16/h2-8,15H,9,18H2,1H3
InChIKeyNJGQZTIFMKHSBI-UHFFFAOYSA-N
MW295.81 g/mol
LogP4.58
Rot. Bonds4

About 1-(2-chloro-5-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine

1-(2-chloro-5-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine (PubChem CID 105395116) has the molecular formula C15H15ClFNS and a molecular weight of 295.81 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
PubChem CID105395116
Molecular FormulaC15H15ClFNS
Molecular Weight295.81 g/mol
Exact Mass295.06
IUPAC Name1-(2-chloro-5-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
SMILESCc1cccc(SCC(N)c2cc(F)ccc2Cl)c1
InChIInChI=1S/C15H15ClFNS/c1-10-3-2-4-12(7-10)19-9-15(18)13-8-11(17)5-6-14(13)16/h2-8,15H,9,18H2,1H3
InChIKeyNJGQZTIFMKHSBI-UHFFFAOYSA-N
XLogP4.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 54.58
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
1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 82770281
1-(4-chlorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086016
1-(2,3-difluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086989
1-(2-chlorophenyl)-2-(3-fluorophenyl)sulfanylethanamine
CID 66070856
2-(3-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 66086595
2-(3-chlorophenyl)sulfanyl-1-(2,4-difluorophenyl)ethanamine
CID 66148494
2-(3-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102832948
1-(2-chloro-5-fluorophenyl)-2-ethylsulfanylethanamine
CID 105395000
1-(5-fluoro-2-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine
CID 66065190
2-(3-fluorophenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine
CID 66072926
2-(3-bromophenyl)sulfanyl-1-(2,5-dichlorophenyl)ethanamine
CID 66159806

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine (CID 105395116) is 1-(2-chloro-5-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine is Cc1cccc(SCC(N)c2cc(F)ccc2Cl)c1.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine?
The InChIKey is NJGQZTIFMKHSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNS/c1-10-3-2-4-12(7-10)19-9-15(18)13-8-11(17)5-6-14(13)16/h2-8,15H,9,18H2,1H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine?
1-(2-chloro-5-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine has a molecular weight of 295.81 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 105395116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).