2-[2-chloro-4-(4-fluorophenyl)sulfanylphenyl]ethanamine

C14H13ClFNS — CID 114065045

IUPAC2-[2-chloro-4-(4-fluorophenyl)sulfanylphenyl]ethanamine
SMILESNCCc1ccc(Sc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C14H13ClFNS/c15-14-9-13(4-1-10(14)7-8-17)18-12-5-2-11(16)3-6-12/h1-6,9H,7-8,17H2
InChIKeyFGXBFSVERIMFSJ-UHFFFAOYSA-N
MW281.78 g/mol
LogP4.13
Rot. Bonds4

About 2-[2-chloro-4-(4-fluorophenyl)sulfanylphenyl]ethanamine

2-[2-chloro-4-(4-fluorophenyl)sulfanylphenyl]ethanamine (PubChem CID 114065045) has the molecular formula C14H13ClFNS and a molecular weight of 281.78 g/mol. Its IUPAC name is 2-[2-chloro-4-(4-fluorophenyl)sulfanylphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-chloro-4-(4-fluorophenyl)sulfanylphenyl]ethanamine
PubChem CID114065045
Molecular FormulaC14H13ClFNS
Molecular Weight281.78 g/mol
Exact Mass281.04
IUPAC Name2-[2-chloro-4-(4-fluorophenyl)sulfanylphenyl]ethanamine
SMILESNCCc1ccc(Sc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C14H13ClFNS/c15-14-9-13(4-1-10(14)7-8-17)18-12-5-2-11(16)3-6-12/h1-6,9H,7-8,17H2
InChIKeyFGXBFSVERIMFSJ-UHFFFAOYSA-N
XLogP4.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-chloro-2-(4-fluorophenyl)sulfanylphenyl]methanamine
CID 55180213
2-[2-chloro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanamine
CID 114065071
3-(2-chloro-4-fluorophenyl)propan-1-amine;hydrochloride
CID 75366828
bis(2-(2,4-dichlorophenyl)ethanamine);hydrochloride
CID 175176503
[2-chloro-4-(2-fluorophenyl)sulfanylphenyl]methanamine
CID 55154318
2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]ethanamine
CID 63819955
2-(2-chloro-4,5-difluorophenyl)ethanamine;hydrochloride
CID 86091425
[3-chloro-4-(4-fluorophenyl)sulfanylphenyl]methanamine
CID 63089190
2-(2,3,4-trichlorophenyl)ethanamine
CID 23356568
2-(5-chloro-2-fluorophenyl)ethanamine
CID 53403693
(2-chloro-4-fluorophenyl)methyl-trifluoroboranuide
CID 63703825
2-[4-chloro-2-(3,4-dimethylphenyl)sulfanylphenyl]ethanamine
CID 114866036

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(4-fluorophenyl)sulfanylphenyl]ethanamine?
The IUPAC name of 2-[2-chloro-4-(4-fluorophenyl)sulfanylphenyl]ethanamine (CID 114065045) is 2-[2-chloro-4-(4-fluorophenyl)sulfanylphenyl]ethanamine.
What is the SMILES notation for 2-[2-chloro-4-(4-fluorophenyl)sulfanylphenyl]ethanamine?
The canonical SMILES for 2-[2-chloro-4-(4-fluorophenyl)sulfanylphenyl]ethanamine is NCCc1ccc(Sc2ccc(F)cc2)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-(4-fluorophenyl)sulfanylphenyl]ethanamine?
The InChIKey is FGXBFSVERIMFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNS/c15-14-9-13(4-1-10(14)7-8-17)18-12-5-2-11(16)3-6-12/h1-6,9H,7-8,17H2.
What are the key properties of 2-[2-chloro-4-(4-fluorophenyl)sulfanylphenyl]ethanamine?
2-[2-chloro-4-(4-fluorophenyl)sulfanylphenyl]ethanamine has a molecular weight of 281.78 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(4-fluorophenyl)sulfanylphenyl]ethanamine is sourced from PubChem (CID 114065045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).