2-(2-chloro-5-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanamine

C15H15ClFNS — CID 102622535

IUPAC2-(2-chloro-5-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanamine
SMILESCSc1ccccc1C(N)Cc1cc(F)ccc1Cl
InChIInChI=1S/C15H15ClFNS/c1-19-15-5-3-2-4-12(15)14(18)9-10-8-11(17)6-7-13(10)16/h2-8,14H,9,18H2,1H3
InChIKeyVHJALWBRVKVFPE-UHFFFAOYSA-N
MW295.81 g/mol
LogP4.44
Rot. Bonds4

About 2-(2-chloro-5-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanamine

2-(2-chloro-5-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanamine (PubChem CID 102622535) has the molecular formula C15H15ClFNS and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanamine
PubChem CID102622535
Molecular FormulaC15H15ClFNS
Molecular Weight295.81 g/mol
Exact Mass295.06
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanamine
SMILESCSc1ccccc1C(N)Cc1cc(F)ccc1Cl
InChIInChI=1S/C15H15ClFNS/c1-19-15-5-3-2-4-12(15)14(18)9-10-8-11(17)6-7-13(10)16/h2-8,14H,9,18H2,1H3
InChIKeyVHJALWBRVKVFPE-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethanamine
CID 102618794
2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 102622579
2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 102622560
1-(2-chloro-5-fluorophenyl)-2-(2-chlorophenyl)ethanamine
CID 105394821
2-(2-chloro-4-fluorophenyl)-1-(2-methylphenyl)ethanamine
CID 55095442
1-(3-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine
CID 64714150
1-(2-chloro-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine
CID 102618765
2-(2-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 43197901
3-(2-chloro-5-fluorophenyl)-2-(2-chlorophenyl)propan-1-amine
CID 102619974
2-(2-chloro-5-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 102622472
2-(2-chloro-5-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 102618374
2-(2-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanamine
CID 102618763

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanamine?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanamine (CID 102622535) is 2-(2-chloro-5-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanamine?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanamine is CSc1ccccc1C(N)Cc1cc(F)ccc1Cl.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanamine?
The InChIKey is VHJALWBRVKVFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNS/c1-19-15-5-3-2-4-12(15)14(18)9-10-8-11(17)6-7-13(10)16/h2-8,14H,9,18H2,1H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanamine?
2-(2-chloro-5-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanamine has a molecular weight of 295.81 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 102622535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).