1-(2,5-dimethylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine

C18H22FNS — CID 64620085

IUPAC1-(2,5-dimethylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine
SMILESCCNC(CSc1ccccc1F)c1cc(C)ccc1C
InChIInChI=1S/C18H22FNS/c1-4-20-17(15-11-13(2)9-10-14(15)3)12-21-18-8-6-5-7-16(18)19/h5-11,17,20H,4,12H2,1-3H3
InChIKeyUDZBRMZKJBUUOO-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.89
Rot. Bonds6

About 1-(2,5-dimethylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine

1-(2,5-dimethylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine (PubChem CID 64620085) has the molecular formula C18H22FNS and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine
PubChem CID64620085
Molecular FormulaC18H22FNS
Molecular Weight303.45 g/mol
Exact Mass303.15
IUPAC Name1-(2,5-dimethylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine
SMILESCCNC(CSc1ccccc1F)c1cc(C)ccc1C
InChIInChI=1S/C18H22FNS/c1-4-20-17(15-11-13(2)9-10-14(15)3)12-21-18-8-6-5-7-16(18)19/h5-11,17,20H,4,12H2,1-3H3
InChIKeyUDZBRMZKJBUUOO-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(2-fluorophenyl)sulfanylethanamine
CID 66053094
[1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine
CID 105236186
1-(2,5-dimethylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64627095
1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine
CID 107560383
1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine
CID 106645738
1-(2,5-dimethylphenyl)-N-ethyl-2-propylsulfanylethanamine
CID 64614076
1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 43490783
1-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 66097384
1-(2,5-dimethylphenyl)-N-ethyl-2-(3-methylbutan-2-ylsulfanyl)ethanamine
CID 107763423
2-(2,5-dichlorophenyl)sulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 64619490
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 105395121
2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 64629634

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine (CID 64620085) is 1-(2,5-dimethylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine is CCNC(CSc1ccccc1F)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine?
The InChIKey is UDZBRMZKJBUUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNS/c1-4-20-17(15-11-13(2)9-10-14(15)3)12-21-18-8-6-5-7-16(18)19/h5-11,17,20H,4,12H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine?
1-(2,5-dimethylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine has a molecular weight of 303.45 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine is sourced from PubChem (CID 64620085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).