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

C19H25NS — CID 66096332

IUPACN-methyl-2-(2-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCNC(CSc1ccccc1C)c1cc(C)c(C)cc1C
InChIInChI=1S/C19H25NS/c1-13-8-6-7-9-19(13)21-12-18(20-5)17-11-15(3)14(2)10-16(17)4/h6-11,18,20H,12H2,1-5H3
InChIKeyZZOUNKSHFXBHHJ-UHFFFAOYSA-N
MW299.48 g/mol
LogP4.97
Rot. Bonds5

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

N-methyl-2-(2-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine (PubChem CID 66096332) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is N-methyl-2-(2-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
PubChem CID66096332
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC NameN-methyl-2-(2-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCNC(CSc1ccccc1C)c1cc(C)c(C)cc1C
InChIInChI=1S/C19H25NS/c1-13-8-6-7-9-19(13)21-12-18(20-5)17-11-15(3)14(2)10-16(17)4/h6-11,18,20H,12H2,1-5H3
InChIKeyZZOUNKSHFXBHHJ-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)sulfanyl-N-methyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 66140551
1-(4-fluoro-2-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 66096546
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 64650228
1-(2-chloro-5-fluorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 105395120
1-(4-chlorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 66099055
1-(3-chloro-4-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 107560397
1-(4-ethylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 64649870
1-(2-methoxyphenyl)-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine
CID 64627721
[1-(5-fluoro-2-methylphenyl)-2-(2-methylphenyl)sulfanylethyl]hydrazine
CID 105237339
[2-(2-methylphenyl)sulfanyl-1-phenylethyl]hydrazine
CID 105237305
4-methyl-3-[1-(methylamino)-2-(2-methylphenyl)sulfanylethyl]pyridin-2-amine
CID 66098635
1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine
CID 64619889

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine?
The IUPAC name of N-methyl-2-(2-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine (CID 66096332) is N-methyl-2-(2-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine.
What is the SMILES notation for N-methyl-2-(2-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine?
The canonical SMILES for N-methyl-2-(2-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine is CNC(CSc1ccccc1C)c1cc(C)c(C)cc1C.
What is the InChIKey of N-methyl-2-(2-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine?
The InChIKey is ZZOUNKSHFXBHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-13-8-6-7-9-19(13)21-12-18(20-5)17-11-15(3)14(2)10-16(17)4/h6-11,18,20H,12H2,1-5H3.
What are the key properties of N-methyl-2-(2-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine?
N-methyl-2-(2-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine has a molecular weight of 299.48 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine is sourced from PubChem (CID 66096332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).