1-(2,5-dichlorophenyl)-N-methyl-2-propylsulfanylethanamine

C12H17Cl2NS — CID 65129380

IUPAC1-(2,5-dichlorophenyl)-N-methyl-2-propylsulfanylethanamine
SMILESCCCSCC(NC)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2NS/c1-3-6-16-8-12(15-2)10-7-9(13)4-5-11(10)14/h4-5,7,12,15H,3,6,8H2,1-2H3
InChIKeyZJSZJIKPERTEEK-UHFFFAOYSA-N
MW278.25 g/mol
LogP4.40
Rot. Bonds6

About 1-(2,5-dichlorophenyl)-N-methyl-2-propylsulfanylethanamine

1-(2,5-dichlorophenyl)-N-methyl-2-propylsulfanylethanamine (PubChem CID 65129380) has the molecular formula C12H17Cl2NS and a molecular weight of 278.25 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-N-methyl-2-propylsulfanylethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-N-methyl-2-propylsulfanylethanamine
PubChem CID65129380
Molecular FormulaC12H17Cl2NS
Molecular Weight278.25 g/mol
Exact Mass277.05
IUPAC Name1-(2,5-dichlorophenyl)-N-methyl-2-propylsulfanylethanamine
SMILESCCCSCC(NC)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2NS/c1-3-6-16-8-12(15-2)10-7-9(13)4-5-11(10)14/h4-5,7,12,15H,3,6,8H2,1-2H3
InChIKeyZJSZJIKPERTEEK-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dichlorophenyl)-2-ethylsulfanyl-N-methylethanamine
CID 65128210
1-(2,5-dichlorophenyl)-N-methylbutan-1-amine
CID 43486635
1-(2,5-dichlorophenyl)-N-methylhexan-1-amine
CID 43486640
1-(2,5-dichlorophenyl)-N-methylnonan-1-amine
CID 65449520
1-(2,5-dichlorophenyl)-N-methyldecan-1-amine
CID 65449519
2-cyclopentylsulfanyl-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 65138511
1-(4-chloro-3-methoxyphenyl)-N-methyl-2-propylsulfanylethanamine
CID 79697204
3-(2,5-dichlorophenyl)-3-(methylamino)propan-1-ol
CID 64813241
1-(2-chloro-5-fluorophenyl)-N-methyl-2-methylsulfanylethanamine
CID 105394877
2-(3-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 63412206
1-(3-fluoro-4-pyridinyl)-N-methyl-2-propylsulfanylethanamine
CID 104738272
N-methyl-1-phenyl-2-propylsulfanylethanamine
CID 64613859

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-N-methyl-2-propylsulfanylethanamine?
The IUPAC name of 1-(2,5-dichlorophenyl)-N-methyl-2-propylsulfanylethanamine (CID 65129380) is 1-(2,5-dichlorophenyl)-N-methyl-2-propylsulfanylethanamine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-N-methyl-2-propylsulfanylethanamine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-N-methyl-2-propylsulfanylethanamine is CCCSCC(NC)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-N-methyl-2-propylsulfanylethanamine?
The InChIKey is ZJSZJIKPERTEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NS/c1-3-6-16-8-12(15-2)10-7-9(13)4-5-11(10)14/h4-5,7,12,15H,3,6,8H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-N-methyl-2-propylsulfanylethanamine?
1-(2,5-dichlorophenyl)-N-methyl-2-propylsulfanylethanamine has a molecular weight of 278.25 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-N-methyl-2-propylsulfanylethanamine is sourced from PubChem (CID 65129380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).