2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-ylphenyl)ethanamine

C16H27NS — CID 64613834

IUPAC2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
SMILESCCC(C)SCC(NC)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H27NS/c1-6-13(4)18-11-16(17-5)15-9-7-14(8-10-15)12(2)3/h7-10,12-13,16-17H,6,11H2,1-5H3
InChIKeyICNQSVASSRYSMT-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.60
Rot. Bonds7

About 2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-ylphenyl)ethanamine

2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 64613834) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID64613834
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
SMILESCCC(C)SCC(NC)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H27NS/c1-6-13(4)18-11-16(17-5)15-9-7-14(8-10-15)12(2)3/h7-10,12-13,16-17H,6,11H2,1-5H3
InChIKeyICNQSVASSRYSMT-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-ylsulfanyl-N-methyl-1-phenylethanamine
CID 64613225
2-butan-2-ylsulfanyl-N-methyl-1-(4-phenylphenyl)ethanamine
CID 64614449
2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 64613215
2-butan-2-ylsulfanyl-N-methyl-1-(4-propoxyphenyl)ethanamine
CID 64613214
2-butan-2-ylsulfanyl-1-(3-fluorophenyl)-N-methylethanamine
CID 65136489
2-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropan-1-ol
CID 113374023
2-butan-2-ylsulfanyl-N-ethyl-1-phenylethanamine
CID 64613420
2-(methylamino)-2-(4-propan-2-ylphenyl)ethanol
CID 54776090
2-butan-2-ylsulfanyl-1-(5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 65136022
N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 104604682
1-butan-2-ylsulfanyl-3-(4-propan-2-ylphenyl)-N-propylpropan-2-amine
CID 65141748
[2-butan-2-ylsulfanyl-1-(4-propoxyphenyl)ethyl]hydrazine
CID 105227278

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-ylphenyl)ethanamine (CID 64613834) is 2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-ylphenyl)ethanamine is CCC(C)SCC(NC)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is ICNQSVASSRYSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-6-13(4)18-11-16(17-5)15-9-7-14(8-10-15)12(2)3/h7-10,12-13,16-17H,6,11H2,1-5H3.
What are the key properties of 2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-ylphenyl)ethanamine?
2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 265.47 g/mol, XLogP of 4.60, 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-methyl-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 64613834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).