1-(4-ethylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine

C18H23NS — CID 64649870

IUPAC1-(4-ethylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
SMILESCCc1ccc(C(CSc2ccccc2C)NC)cc1
InChIInChI=1S/C18H23NS/c1-4-15-9-11-16(12-10-15)17(19-3)13-20-18-8-6-5-7-14(18)2/h5-12,17,19H,4,13H2,1-3H3
InChIKeyBUOXVDLGUBWGBI-UHFFFAOYSA-N
MW285.46 g/mol
LogP4.61
Rot. Bonds6

About 1-(4-ethylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine

1-(4-ethylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine (PubChem CID 64649870) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
PubChem CID64649870
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name1-(4-ethylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
SMILESCCc1ccc(C(CSc2ccccc2C)NC)cc1
InChIInChI=1S/C18H23NS/c1-4-15-9-11-16(12-10-15)17(19-3)13-20-18-8-6-5-7-14(18)2/h5-12,17,19H,4,13H2,1-3H3
InChIKeyBUOXVDLGUBWGBI-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 66099055
1-(3-chloro-4-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 107560397
N-methyl-2-(2-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 66096332
1-(4-fluoro-2-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 66096546
[2-(2-methylphenyl)sulfanyl-1-phenylethyl]hydrazine
CID 105237305
1-(2-chloro-5-fluorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 105395120
1-(4-ethylphenyl)-N-methyl-2-[(3-methylphenyl)methylsulfanyl]ethanamine
CID 64634181
2-(2,5-dimethylphenyl)sulfanyl-N-methyl-1-(4-methylphenyl)ethanamine
CID 64648242
1-(4-ethylphenyl)-N-methyl-2-pentylsulfanylethanamine
CID 107763142
2-chloro-1-(4-ethylphenyl)-N-methylethanamine
CID 116952559
N-[1-(4-ethylphenyl)propyl]-2-methylaniline
CID 43309999
1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)-N-methylethanamine
CID 64613258

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine?
The IUPAC name of 1-(4-ethylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine (CID 64649870) is 1-(4-ethylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine?
The canonical SMILES for 1-(4-ethylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine is CCc1ccc(C(CSc2ccccc2C)NC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine?
The InChIKey is BUOXVDLGUBWGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-4-15-9-11-16(12-10-15)17(19-3)13-20-18-8-6-5-7-14(18)2/h5-12,17,19H,4,13H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine?
1-(4-ethylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine has a molecular weight of 285.46 g/mol, XLogP of 4.61, 6 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-(2-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 64649870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).