1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)-N-methylethanamine

C14H23NOS — CID 64613258

IUPAC1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)-N-methylethanamine
SMILESCCc1ccc(C(CSCCOC)NC)cc1
InChIInChI=1S/C14H23NOS/c1-4-12-5-7-13(8-6-12)14(15-2)11-17-10-9-16-3/h5-8,14-15H,4,9-11H2,1-3H3
InChIKeyBEBNETYEDCCXDR-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.89
Rot. Bonds8

About 1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)-N-methylethanamine

1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)-N-methylethanamine (PubChem CID 64613258) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)-N-methylethanamine
PubChem CID64613258
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)-N-methylethanamine
SMILESCCc1ccc(C(CSCCOC)NC)cc1
InChIInChI=1S/C14H23NOS/c1-4-12-5-7-13(8-6-12)14(15-2)11-17-10-9-16-3/h5-8,14-15H,4,9-11H2,1-3H3
InChIKeyBEBNETYEDCCXDR-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)ethyl]propan-1-amine
CID 64614295
2-(2-methoxyethylsulfanyl)-N-methyl-1-(4-propoxyphenyl)ethanamine
CID 64613252
1-(4-ethylphenyl)-N-methyl-2-pentylsulfanylethanamine
CID 107763142
1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylethanamine
CID 64626660
N-[2-(2-methoxyethylsulfanyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 64610335
N-methyl-1-phenyl-2-propylsulfanylethanamine
CID 64613859
N-methyl-1-(4-propan-2-yloxyphenyl)-2-propylsulfanylethanamine
CID 64615512
N-[1-(4-ethoxyphenyl)-2-(2-methoxyethylsulfanyl)ethyl]propan-1-amine
CID 64613678
1-(4-ethylphenyl)-N-methyl-2-[(3-methylphenyl)methylsulfanyl]ethanamine
CID 64634181
N-ethyl-1-(4-ethylphenyl)-3-methoxypropan-1-amine
CID 62542901
1-(4-ethylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 64649870
2-chloro-1-(4-ethylphenyl)-N-methylethanamine
CID 116952559

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)-N-methylethanamine?
The IUPAC name of 1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)-N-methylethanamine (CID 64613258) is 1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)-N-methylethanamine?
The canonical SMILES for 1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)-N-methylethanamine is CCc1ccc(C(CSCCOC)NC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)-N-methylethanamine?
The InChIKey is BEBNETYEDCCXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-4-12-5-7-13(8-6-12)14(15-2)11-17-10-9-16-3/h5-8,14-15H,4,9-11H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)-N-methylethanamine?
1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)-N-methylethanamine has a molecular weight of 253.41 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)-N-methylethanamine is sourced from PubChem (CID 64613258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).