1-(3-cyclobutylphenyl)-2-propan-2-ylsulfanylethanamine

C15H23NS — CID 114603248

IUPAC1-(3-cyclobutylphenyl)-2-propan-2-ylsulfanylethanamine
SMILESCC(C)SCC(N)c1cccc(C2CCC2)c1
InChIInChI=1S/C15H23NS/c1-11(2)17-10-15(16)14-8-4-7-13(9-14)12-5-3-6-12/h4,7-9,11-12,15H,3,5-6,10,16H2,1-2H3
InChIKeyABFSYIYOSIJUAO-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.10
Rot. Bonds5

About 1-(3-cyclobutylphenyl)-2-propan-2-ylsulfanylethanamine

1-(3-cyclobutylphenyl)-2-propan-2-ylsulfanylethanamine (PubChem CID 114603248) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-2-propan-2-ylsulfanylethanamine.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-2-propan-2-ylsulfanylethanamine
PubChem CID114603248
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name1-(3-cyclobutylphenyl)-2-propan-2-ylsulfanylethanamine
SMILESCC(C)SCC(N)c1cccc(C2CCC2)c1
InChIInChI=1S/C15H23NS/c1-11(2)17-10-15(16)14-8-4-7-13(9-14)12-5-3-6-12/h4,7-9,11-12,15H,3,5-6,10,16H2,1-2H3
InChIKeyABFSYIYOSIJUAO-UHFFFAOYSA-N
XLogP4.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyclobutylphenyl)-2-cyclohexylsulfanylethanamine
CID 114603312
1-(3-cyclobutylphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 114603256
1-(3-cyclobutylphenyl)-2-methylbutan-1-amine
CID 114603023
1-(3-cyclobutylphenyl)-2,2-dimethylpropan-1-amine
CID 114602608
3-amino-3-(3-cyclobutylphenyl)propanoic acid
CID 83837155
1-(3-cyclobutylphenyl)-2-methylsulfanylethanol
CID 114602219
[1-(3-cyclobutylphenyl)-2-methylsulfanylethyl]hydrazine
CID 105213827
1-(3-cyclobutylphenyl)-2-ethoxypropan-1-amine
CID 114603153
2-(2-chlorophenyl)-1-(3-cyclobutylphenyl)ethanamine
CID 114602829
1-(3-cyclobutylphenyl)-N-ethylethanamine
CID 114602707
1-(3-cyclobutylphenyl)propylhydrazine
CID 105200963
1-(3-cyclobutylphenyl)pentan-1-ol
CID 114601319

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-2-propan-2-ylsulfanylethanamine?
The IUPAC name of 1-(3-cyclobutylphenyl)-2-propan-2-ylsulfanylethanamine (CID 114603248) is 1-(3-cyclobutylphenyl)-2-propan-2-ylsulfanylethanamine.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-2-propan-2-ylsulfanylethanamine?
The canonical SMILES for 1-(3-cyclobutylphenyl)-2-propan-2-ylsulfanylethanamine is CC(C)SCC(N)c1cccc(C2CCC2)c1.
What is the InChIKey of 1-(3-cyclobutylphenyl)-2-propan-2-ylsulfanylethanamine?
The InChIKey is ABFSYIYOSIJUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-11(2)17-10-15(16)14-8-4-7-13(9-14)12-5-3-6-12/h4,7-9,11-12,15H,3,5-6,10,16H2,1-2H3.
What are the key properties of 1-(3-cyclobutylphenyl)-2-propan-2-ylsulfanylethanamine?
1-(3-cyclobutylphenyl)-2-propan-2-ylsulfanylethanamine has a molecular weight of 249.42 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-2-propan-2-ylsulfanylethanamine is sourced from PubChem (CID 114603248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).