1-(4-ethylphenyl)-N-methyl-2-[(3-methylphenyl)methylsulfanyl]ethanamine

C19H25NS — CID 64634181

IUPAC1-(4-ethylphenyl)-N-methyl-2-[(3-methylphenyl)methylsulfanyl]ethanamine
SMILESCCc1ccc(C(CSCc2cccc(C)c2)NC)cc1
InChIInChI=1S/C19H25NS/c1-4-16-8-10-18(11-9-16)19(20-3)14-21-13-17-7-5-6-15(2)12-17/h5-12,19-20H,4,13-14H2,1-3H3
InChIKeyNXUSCUCHTOSRJK-UHFFFAOYSA-N
MW299.48 g/mol
LogP4.75
Rot. Bonds7

About 1-(4-ethylphenyl)-N-methyl-2-[(3-methylphenyl)methylsulfanyl]ethanamine

1-(4-ethylphenyl)-N-methyl-2-[(3-methylphenyl)methylsulfanyl]ethanamine (PubChem CID 64634181) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-methyl-2-[(3-methylphenyl)methylsulfanyl]ethanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-methyl-2-[(3-methylphenyl)methylsulfanyl]ethanamine
PubChem CID64634181
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC Name1-(4-ethylphenyl)-N-methyl-2-[(3-methylphenyl)methylsulfanyl]ethanamine
SMILESCCc1ccc(C(CSCc2cccc(C)c2)NC)cc1
InChIInChI=1S/C19H25NS/c1-4-16-8-10-18(11-9-16)19(20-3)14-21-13-17-7-5-6-15(2)12-17/h5-12,19-20H,4,13-14H2,1-3H3
InChIKeyNXUSCUCHTOSRJK-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-N-methyl-2-pentylsulfanylethanamine
CID 107763142
1-(4-ethylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 64649870
N-[1-(4-ethylphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60819207
1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)-N-methylethanamine
CID 64613258
N-methyl-1-[4-[(3-methylphenyl)methylsulfanyl]phenyl]ethanamine
CID 55112738
3-[(3-methylphenyl)methylsulfanyl]propane-1,2-diol
CID 79683070
2-(ethylamino)-3-[(3-methylphenyl)methylsulfanyl]propan-1-ol
CID 64808400
1-(4-ethylphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105101719
N-methyl-1-(3-methylphenyl)-3-propylsulfanylpropan-2-amine
CID 65129089
3-[(3-methylphenyl)methylsulfanyl]-2-phenylpropan-1-amine
CID 64538465
1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 63477985
3-(4-ethylphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine
CID 43936851

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-methyl-2-[(3-methylphenyl)methylsulfanyl]ethanamine?
The IUPAC name of 1-(4-ethylphenyl)-N-methyl-2-[(3-methylphenyl)methylsulfanyl]ethanamine (CID 64634181) is 1-(4-ethylphenyl)-N-methyl-2-[(3-methylphenyl)methylsulfanyl]ethanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-methyl-2-[(3-methylphenyl)methylsulfanyl]ethanamine?
The canonical SMILES for 1-(4-ethylphenyl)-N-methyl-2-[(3-methylphenyl)methylsulfanyl]ethanamine is CCc1ccc(C(CSCc2cccc(C)c2)NC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-methyl-2-[(3-methylphenyl)methylsulfanyl]ethanamine?
The InChIKey is NXUSCUCHTOSRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-4-16-8-10-18(11-9-16)19(20-3)14-21-13-17-7-5-6-15(2)12-17/h5-12,19-20H,4,13-14H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-N-methyl-2-[(3-methylphenyl)methylsulfanyl]ethanamine?
1-(4-ethylphenyl)-N-methyl-2-[(3-methylphenyl)methylsulfanyl]ethanamine has a molecular weight of 299.48 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-methyl-2-[(3-methylphenyl)methylsulfanyl]ethanamine is sourced from PubChem (CID 64634181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).