1-(2-chloro-5-fluorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine

C16H17ClFNS — CID 105395120

IUPAC1-(2-chloro-5-fluorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
SMILESCNC(CSc1ccccc1C)c1cc(F)ccc1Cl
InChIInChI=1S/C16H17ClFNS/c1-11-5-3-4-6-16(11)20-10-15(19-2)13-9-12(18)7-8-14(13)17/h3-9,15,19H,10H2,1-2H3
InChIKeyPKJBBUIWWWTVCU-UHFFFAOYSA-N
MW309.84 g/mol
LogP4.84
Rot. Bonds5

About 1-(2-chloro-5-fluorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine

1-(2-chloro-5-fluorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine (PubChem CID 105395120) has the molecular formula C16H17ClFNS and a molecular weight of 309.84 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
PubChem CID105395120
Molecular FormulaC16H17ClFNS
Molecular Weight309.84 g/mol
Exact Mass309.08
IUPAC Name1-(2-chloro-5-fluorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
SMILESCNC(CSc1ccccc1C)c1cc(F)ccc1Cl
InChIInChI=1S/C16H17ClFNS/c1-11-5-3-4-6-16(11)20-10-15(19-2)13-9-12(18)7-8-14(13)17/h3-9,15,19H,10H2,1-2H3
InChIKeyPKJBBUIWWWTVCU-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-chloro-5-fluorophenyl)-2-(2-methylphenyl)sulfanylethyl]hydrazine
CID 105397872
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 105395121
1-(4-fluoro-2-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 66096546
1-(2-chloro-5-fluorophenyl)-N-methyl-2-methylsulfanylethanamine
CID 105394877
N-methyl-2-(2-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 66096332
[1-(5-fluoro-2-methylphenyl)-2-(2-methylphenyl)sulfanylethyl]hydrazine
CID 105237339
1-(3-chloro-4-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 107560397
1-(2-chloro-5-fluorophenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine
CID 105396940
1-(4-chlorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 66099055
2-(2-chlorophenyl)sulfanyl-N-methyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 66140551
1-(4-fluoro-2-methylphenyl)-N-methyl-2-phenylsulfanylethanamine
CID 65143326
2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 102618613

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine (CID 105395120) is 1-(2-chloro-5-fluorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine is CNC(CSc1ccccc1C)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine?
The InChIKey is PKJBBUIWWWTVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNS/c1-11-5-3-4-6-16(11)20-10-15(19-2)13-9-12(18)7-8-14(13)17/h3-9,15,19H,10H2,1-2H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine?
1-(2-chloro-5-fluorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine has a molecular weight of 309.84 g/mol, XLogP of 4.84, 5 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)-N-methyl-2-(2-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 105395120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).