1-(2,4-dimethylphenyl)-N-ethyl-2-propylsulfanylethanamine

C15H25NS — CID 64614075

IUPAC1-(2,4-dimethylphenyl)-N-ethyl-2-propylsulfanylethanamine
SMILESCCCSCC(NCC)c1ccc(C)cc1C
InChIInChI=1S/C15H25NS/c1-5-9-17-11-15(16-6-2)14-8-7-12(3)10-13(14)4/h7-8,10,15-16H,5-6,9,11H2,1-4H3
InChIKeySHCRQPMKDVOXND-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.10
Rot. Bonds7

About 1-(2,4-dimethylphenyl)-N-ethyl-2-propylsulfanylethanamine

1-(2,4-dimethylphenyl)-N-ethyl-2-propylsulfanylethanamine (PubChem CID 64614075) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-ethyl-2-propylsulfanylethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-ethyl-2-propylsulfanylethanamine
PubChem CID64614075
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name1-(2,4-dimethylphenyl)-N-ethyl-2-propylsulfanylethanamine
SMILESCCCSCC(NCC)c1ccc(C)cc1C
InChIInChI=1S/C15H25NS/c1-5-9-17-11-15(16-6-2)14-8-7-12(3)10-13(14)4/h7-8,10,15-16H,5-6,9,11H2,1-4H3
InChIKeySHCRQPMKDVOXND-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,4-dimethylphenyl)-N-ethyl-2-propylsulfanylethanamine 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

1-(2,5-dimethylphenyl)-N-ethyl-2-propylsulfanylethanamine
CID 64614076
1-(2,4-dimethylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64627094
1-(2,4-dimethylphenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine
CID 115803668
1-(2,4-dimethylphenyl)-N,3-diethylpentan-1-amine
CID 105028376
2-butylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 64610280
1-(2,4-dimethylphenyl)-N-ethyl-2-ethylsulfonylethanamine
CID 64647574
1-(2,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 43490017
1-(2,4-dimethoxyphenyl)-N-ethyl-2-propylsulfanylethanamine
CID 64615524
1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine
CID 64627355
1-(2,4-dimethylphenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 64628360
1-(2,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 43489975
1-(2,4-dimethylphenyl)-N-ethyl-2-(4-methylphenoxy)ethanamine
CID 63474182

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-ethyl-2-propylsulfanylethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-ethyl-2-propylsulfanylethanamine (CID 64614075) is 1-(2,4-dimethylphenyl)-N-ethyl-2-propylsulfanylethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-ethyl-2-propylsulfanylethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-ethyl-2-propylsulfanylethanamine is CCCSCC(NCC)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-ethyl-2-propylsulfanylethanamine?
The InChIKey is SHCRQPMKDVOXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-5-9-17-11-15(16-6-2)14-8-7-12(3)10-13(14)4/h7-8,10,15-16H,5-6,9,11H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-ethyl-2-propylsulfanylethanamine?
1-(2,4-dimethylphenyl)-N-ethyl-2-propylsulfanylethanamine has a molecular weight of 251.44 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-ethyl-2-propylsulfanylethanamine is sourced from PubChem (CID 64614075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).