1-(2,3-dichlorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine

C12H17Cl2NS — CID 107308560

IUPAC1-(2,3-dichlorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
SMILESCCNC(CSC)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C12H17Cl2NS/c1-3-15-10(8-16-2)7-9-5-4-6-11(13)12(9)14/h4-6,10,15H,3,7-8H2,1-2H3
InChIKeyOWNZFICYPOALDS-UHFFFAOYSA-N
MW278.25 g/mol
LogP3.88
Rot. Bonds6

About 1-(2,3-dichlorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine

1-(2,3-dichlorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine (PubChem CID 107308560) has the molecular formula C12H17Cl2NS and a molecular weight of 278.25 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
PubChem CID107308560
Molecular FormulaC12H17Cl2NS
Molecular Weight278.25 g/mol
Exact Mass277.05
IUPAC Name1-(2,3-dichlorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
SMILESCCNC(CSC)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C12H17Cl2NS/c1-3-15-10(8-16-2)7-9-5-4-6-11(13)12(9)14/h4-6,10,15H,3,7-8H2,1-2H3
InChIKeyOWNZFICYPOALDS-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butylsulfanyl-3-(2,3-dichlorophenyl)-N-propylpropan-2-amine
CID 107308668
3-[(2,3-dichlorophenyl)methyl]-N-ethylpentan-2-amine
CID 107307054
1-(2,3-dichlorophenyl)-N-propylbutan-2-amine
CID 107308434
1-cyclobutyl-3-(2,3-dichlorophenyl)-N-ethylpropan-2-amine
CID 107311774
1,2-bis(2,3-dichlorophenyl)-N-ethylethanamine
CID 107311750
1-(2,3-dichlorophenyl)-3-methylsulfanylpropan-2-ol
CID 107308125
1-(2,3-dichlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 107308542
3-(2,3-dichlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine
CID 107311776
1-(2,3-dichlorophenyl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine
CID 107309180
1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 103048614
1-(2-chloro-3-fluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 112653767
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 114855538

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine (CID 107308560) is 1-(2,3-dichlorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine is CCNC(CSC)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine?
The InChIKey is OWNZFICYPOALDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NS/c1-3-15-10(8-16-2)7-9-5-4-6-11(13)12(9)14/h4-6,10,15H,3,7-8H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine?
1-(2,3-dichlorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine has a molecular weight of 278.25 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine is sourced from PubChem (CID 107308560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).