2-(2,5-dimethylphenyl)sulfanyl-N-methyl-1-(4-methylphenyl)ethanamine

C18H23NS — CID 64648242

IUPAC2-(2,5-dimethylphenyl)sulfanyl-N-methyl-1-(4-methylphenyl)ethanamine
SMILESCNC(CSc1cc(C)ccc1C)c1ccc(C)cc1
InChIInChI=1S/C18H23NS/c1-13-6-9-16(10-7-13)17(19-4)12-20-18-11-14(2)5-8-15(18)3/h5-11,17,19H,12H2,1-4H3
InChIKeyPMVMJOYARONEEG-UHFFFAOYSA-N
MW285.46 g/mol
LogP4.66
Rot. Bonds5

About 2-(2,5-dimethylphenyl)sulfanyl-N-methyl-1-(4-methylphenyl)ethanamine

2-(2,5-dimethylphenyl)sulfanyl-N-methyl-1-(4-methylphenyl)ethanamine (PubChem CID 64648242) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanyl-N-methyl-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanyl-N-methyl-1-(4-methylphenyl)ethanamine
PubChem CID64648242
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name2-(2,5-dimethylphenyl)sulfanyl-N-methyl-1-(4-methylphenyl)ethanamine
SMILESCNC(CSc1cc(C)ccc1C)c1ccc(C)cc1
InChIInChI=1S/C18H23NS/c1-13-6-9-16(10-7-13)17(19-4)12-20-18-11-14(2)5-8-15(18)3/h5-11,17,19H,12H2,1-4H3
InChIKeyPMVMJOYARONEEG-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(2-methylfuran-3-yl)sulfanyl-1-(4-methylphenyl)ethanamine
CID 107784202
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-1-(4-methylphenyl)ethanamine
CID 102926336
1-(4-chlorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 66099055
1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine
CID 64619889
1-(3-chloro-4-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 107560397
(1S)-2-fluoro-N-methyl-1-(4-methylphenyl)ethanamine
CID 90212789
1-(4-ethylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 64649870
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 105373660
2-(2,5-dichlorophenyl)sulfanyl-1-(2,5-dimethylphenyl)-N-methylethanamine
CID 64620650
N-methyl-1-(4-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 64648111
N-methyl-1-(4-methylphenyl)-2-(2-methylsulfonylethylsulfanyl)ethanamine
CID 64609417
2-(2,5-dimethylphenyl)sulfanyl-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 64650586

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-methyl-1-(4-methylphenyl)ethanamine?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-methyl-1-(4-methylphenyl)ethanamine (CID 64648242) is 2-(2,5-dimethylphenyl)sulfanyl-N-methyl-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanyl-N-methyl-1-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanyl-N-methyl-1-(4-methylphenyl)ethanamine is CNC(CSc1cc(C)ccc1C)c1ccc(C)cc1.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanyl-N-methyl-1-(4-methylphenyl)ethanamine?
The InChIKey is PMVMJOYARONEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-13-6-9-16(10-7-13)17(19-4)12-20-18-11-14(2)5-8-15(18)3/h5-11,17,19H,12H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenyl)sulfanyl-N-methyl-1-(4-methylphenyl)ethanamine?
2-(2,5-dimethylphenyl)sulfanyl-N-methyl-1-(4-methylphenyl)ethanamine has a molecular weight of 285.46 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)sulfanyl-N-methyl-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 64648242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).