2-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine

C15H15ClFNS — CID 114792466

IUPAC2-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine
SMILESNCCc1cc(F)ccc1SCc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClFNS/c16-13-3-1-11(2-4-13)10-19-15-6-5-14(17)9-12(15)7-8-18/h1-6,9H,7-8,10,18H2
InChIKeyNPKKNZYDDIDYTK-UHFFFAOYSA-N
MW295.81 g/mol
LogP4.27
Rot. Bonds5

About 2-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine

2-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine (PubChem CID 114792466) has the molecular formula C15H15ClFNS and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine
PubChem CID114792466
Molecular FormulaC15H15ClFNS
Molecular Weight295.81 g/mol
Exact Mass295.06
IUPAC Name2-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine
SMILESNCCc1cc(F)ccc1SCc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClFNS/c16-13-3-1-11(2-4-13)10-19-15-6-5-14(17)9-12(15)7-8-18/h1-6,9H,7-8,10,18H2
InChIKeyNPKKNZYDDIDYTK-UHFFFAOYSA-N
XLogP4.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)methylsulfanyl]-4-fluoroaniline
CID 79147531
(1R)-1-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanol
CID 104971602
[5-[(2,4-difluorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine
CID 107880481
2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]ethanamine
CID 63819955
4-[(4-chlorophenyl)methylsulfanyl]-3-(difluoromethyl)aniline
CID 114790191
1-chloro-4-[(3-fluorophenyl)sulfanylmethyl]benzene
CID 91657412
2-[4-[(4-chlorophenyl)methylsulfanyl]-2-methylphenyl]ethanamine
CID 114792485
2-[2-[2-(2-aminoethyl)-4-chlorophenyl]sulfanyl-5-chlorophenyl]ethanamine
CID 67297854
5-fluoro-2-[(4-propan-2-ylphenyl)methylsulfanyl]aniline
CID 43304284
[4-[(2,5-difluorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine
CID 43530758
2-[4-chloro-2-[(3-methylphenyl)methylsulfanyl]phenyl]ethanamine
CID 114866343
2-(4-chlorophenyl)-1-(3-fluorophenyl)ethanamine
CID 54941560

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine?
The IUPAC name of 2-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine (CID 114792466) is 2-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine?
The canonical SMILES for 2-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine is NCCc1cc(F)ccc1SCc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine?
The InChIKey is NPKKNZYDDIDYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNS/c16-13-3-1-11(2-4-13)10-19-15-6-5-14(17)9-12(15)7-8-18/h1-6,9H,7-8,10,18H2.
What are the key properties of 2-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine?
2-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine has a molecular weight of 295.81 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine is sourced from PubChem (CID 114792466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).