2-butan-2-ylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine

C15H25NS — CID 64612599

IUPAC2-butan-2-ylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine
SMILESCCNC(CSC(C)CC)c1ccccc1C
InChIInChI=1S/C15H25NS/c1-5-13(4)17-11-15(16-6-2)14-10-8-7-9-12(14)3/h7-10,13,15-16H,5-6,11H2,1-4H3
InChIKeyDHEJISISFCFTHY-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.18
Rot. Bonds7

About 2-butan-2-ylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine

2-butan-2-ylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine (PubChem CID 64612599) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine
PubChem CID64612599
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name2-butan-2-ylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine
SMILESCCNC(CSC(C)CC)c1ccccc1C
InChIInChI=1S/C15H25NS/c1-5-13(4)17-11-15(16-6-2)14-10-8-7-9-12(14)3/h7-10,13,15-16H,5-6,11H2,1-4H3
InChIKeyDHEJISISFCFTHY-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-ylsulfanyl-N-ethyl-1-phenylethanamine
CID 64613420
2-butylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 64610280
2-butan-2-ylsulfanyl-N-ethyl-1-[2-(2-methoxyethoxy)phenyl]ethanamine
CID 104660236
2-butan-2-ylsulfanyl-N-ethyl-1-isoquinolin-8-ylethanamine
CID 103143599
N-ethyl-1-(2-methylphenyl)-3-propan-2-yloxypropan-1-amine
CID 115002194
N-ethyl-4-methoxy-3-methyl-1-(2-methylphenyl)butan-1-amine
CID 105094581
1-(2-ethoxyphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 64632455
2-(2,5-dichlorophenyl)sulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 64619490
2-butan-2-ylsulfanyl-N-ethyl-1-(furan-3-yl)ethanamine
CID 65136268
2-butan-2-ylsulfanyl-N-methyl-1-phenylethanamine
CID 64613225
2-butan-2-ylsulfanyl-1-(3,5-difluorophenyl)-N-ethylethanamine
CID 65136205
1-butan-2-ylsulfanyl-N-ethyl-3-phenylpropan-2-amine
CID 65135913

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine?
The IUPAC name of 2-butan-2-ylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine (CID 64612599) is 2-butan-2-ylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-butan-2-ylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-butan-2-ylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine is CCNC(CSC(C)CC)c1ccccc1C.
What is the InChIKey of 2-butan-2-ylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine?
The InChIKey is DHEJISISFCFTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-5-13(4)17-11-15(16-6-2)14-10-8-7-9-12(14)3/h7-10,13,15-16H,5-6,11H2,1-4H3.
What are the key properties of 2-butan-2-ylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine?
2-butan-2-ylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine has a molecular weight of 251.44 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 64612599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).