1-tert-butylsulfanyl-3-(2,6-dichlorophenyl)propan-2-amine

C13H19Cl2NS — CID 65133097

IUPAC1-tert-butylsulfanyl-3-(2,6-dichlorophenyl)propan-2-amine
SMILESCC(C)(C)SCC(N)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H19Cl2NS/c1-13(2,3)17-8-9(16)7-10-11(14)5-4-6-12(10)15/h4-6,9H,7-8,16H2,1-3H3
InChIKeyCEFZYPXGSSWLLD-UHFFFAOYSA-N
MW292.27 g/mol
LogP4.39
Rot. Bonds4

About 1-tert-butylsulfanyl-3-(2,6-dichlorophenyl)propan-2-amine

1-tert-butylsulfanyl-3-(2,6-dichlorophenyl)propan-2-amine (PubChem CID 65133097) has the molecular formula C13H19Cl2NS and a molecular weight of 292.27 g/mol. Its IUPAC name is 1-tert-butylsulfanyl-3-(2,6-dichlorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-tert-butylsulfanyl-3-(2,6-dichlorophenyl)propan-2-amine
PubChem CID65133097
Molecular FormulaC13H19Cl2NS
Molecular Weight292.27 g/mol
Exact Mass291.06
IUPAC Name1-tert-butylsulfanyl-3-(2,6-dichlorophenyl)propan-2-amine
SMILESCC(C)(C)SCC(N)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H19Cl2NS/c1-13(2,3)17-8-9(16)7-10-11(14)5-4-6-12(10)15/h4-6,9H,7-8,16H2,1-3H3
InChIKeyCEFZYPXGSSWLLD-UHFFFAOYSA-N
XLogP4.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dichlorophenyl)-3-methoxy-3-methylbutan-2-amine
CID 79197311
2-amino-3-(2,6-dichlorophenyl)propan-1-ol
CID 18387991
1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65131589
1-tert-butylsulfanyl-3-thiophen-2-ylpropan-2-amine
CID 65132598
3-(azepan-1-yl)-1-(2,6-dichlorophenyl)-3-methylbutan-2-amine
CID 79050778
1-(2,6-dichlorophenyl)-3-methyl-3-phenylbutan-2-amine
CID 63420080
3-(2-amino-3-tert-butylsulfanylpropyl)pyridin-2-amine
CID 65132377
1-(4-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine
CID 107884616
1-(2,6-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-amine
CID 116725191
1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-amine
CID 66158625
3-(2,6-dichlorophenyl)-1,1-difluoropropan-2-amine
CID 103759791
2-(2,6-dichlorophenyl)-1-phenylethanamine
CID 55133818

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanyl-3-(2,6-dichlorophenyl)propan-2-amine?
The IUPAC name of 1-tert-butylsulfanyl-3-(2,6-dichlorophenyl)propan-2-amine (CID 65133097) is 1-tert-butylsulfanyl-3-(2,6-dichlorophenyl)propan-2-amine.
What is the SMILES notation for 1-tert-butylsulfanyl-3-(2,6-dichlorophenyl)propan-2-amine?
The canonical SMILES for 1-tert-butylsulfanyl-3-(2,6-dichlorophenyl)propan-2-amine is CC(C)(C)SCC(N)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-tert-butylsulfanyl-3-(2,6-dichlorophenyl)propan-2-amine?
The InChIKey is CEFZYPXGSSWLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NS/c1-13(2,3)17-8-9(16)7-10-11(14)5-4-6-12(10)15/h4-6,9H,7-8,16H2,1-3H3.
What are the key properties of 1-tert-butylsulfanyl-3-(2,6-dichlorophenyl)propan-2-amine?
1-tert-butylsulfanyl-3-(2,6-dichlorophenyl)propan-2-amine has a molecular weight of 292.27 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanyl-3-(2,6-dichlorophenyl)propan-2-amine is sourced from PubChem (CID 65133097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).