1-(2-chlorophenyl)-2-(3-fluorophenyl)sulfanylethanamine

C14H13ClFNS — CID 66070856

IUPAC1-(2-chlorophenyl)-2-(3-fluorophenyl)sulfanylethanamine
SMILESNC(CSc1cccc(F)c1)c1ccccc1Cl
InChIInChI=1S/C14H13ClFNS/c15-13-7-2-1-6-12(13)14(17)9-18-11-5-3-4-10(16)8-11/h1-8,14H,9,17H2
InChIKeyYBXRQTQKMDAACL-UHFFFAOYSA-N
MW281.78 g/mol
LogP4.27
Rot. Bonds4

About 1-(2-chlorophenyl)-2-(3-fluorophenyl)sulfanylethanamine

1-(2-chlorophenyl)-2-(3-fluorophenyl)sulfanylethanamine (PubChem CID 66070856) has the molecular formula C14H13ClFNS and a molecular weight of 281.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(3-fluorophenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(3-fluorophenyl)sulfanylethanamine
PubChem CID66070856
Molecular FormulaC14H13ClFNS
Molecular Weight281.78 g/mol
Exact Mass281.04
IUPAC Name1-(2-chlorophenyl)-2-(3-fluorophenyl)sulfanylethanamine
SMILESNC(CSc1cccc(F)c1)c1ccccc1Cl
InChIInChI=1S/C14H13ClFNS/c15-13-7-2-1-6-12(13)14(17)9-18-11-5-3-4-10(16)8-11/h1-8,14H,9,17H2
InChIKeyYBXRQTQKMDAACL-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine
CID 66072926
1-(2-chloro-5-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 105395116
2-(3-chlorophenyl)sulfanyl-1-(2,4-difluorophenyl)ethanamine
CID 66148494
(2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine
CID 104889284
2-(3-bromophenyl)sulfanyl-1-(2-fluorophenyl)ethanamine
CID 66160199
3-[1-amino-2-(3-fluorophenyl)sulfanylethyl]-5-methylpyridin-2-amine
CID 66072309
2-(2-chlorophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanamine
CID 66141187
1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 82770281
1-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66088925
2-(3-bromophenyl)sulfanyl-1-(2,5-dichlorophenyl)ethanamine
CID 66159806
2-(3-fluorophenyl)sulfanyl-1-(2-methylphenyl)ethanol
CID 66071238
1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanamine
CID 66072105

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(3-fluorophenyl)sulfanylethanamine?
The IUPAC name of 1-(2-chlorophenyl)-2-(3-fluorophenyl)sulfanylethanamine (CID 66070856) is 1-(2-chlorophenyl)-2-(3-fluorophenyl)sulfanylethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(3-fluorophenyl)sulfanylethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-2-(3-fluorophenyl)sulfanylethanamine is NC(CSc1cccc(F)c1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-(3-fluorophenyl)sulfanylethanamine?
The InChIKey is YBXRQTQKMDAACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNS/c15-13-7-2-1-6-12(13)14(17)9-18-11-5-3-4-10(16)8-11/h1-8,14H,9,17H2.
What are the key properties of 1-(2-chlorophenyl)-2-(3-fluorophenyl)sulfanylethanamine?
1-(2-chlorophenyl)-2-(3-fluorophenyl)sulfanylethanamine has a molecular weight of 281.78 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(3-fluorophenyl)sulfanylethanamine is sourced from PubChem (CID 66070856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).