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

C16H27NOS — CID 64613215

IUPAC2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCCC(C)SCC(NC)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H27NOS/c1-6-13(4)19-11-16(17-5)14-7-9-15(10-8-14)18-12(2)3/h7-10,12-13,16-17H,6,11H2,1-5H3
InChIKeyVAIPUXKJAZLOHD-UHFFFAOYSA-N
MW281.47 g/mol
LogP4.27
Rot. Bonds8

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

2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine (PubChem CID 64613215) has the molecular formula C16H27NOS and a molecular weight of 281.47 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
PubChem CID64613215
Molecular FormulaC16H27NOS
Molecular Weight281.47 g/mol
Exact Mass281.18
IUPAC Name2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCCC(C)SCC(NC)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H27NOS/c1-6-13(4)19-11-16(17-5)14-7-9-15(10-8-14)18-12(2)3/h7-10,12-13,16-17H,6,11H2,1-5H3
InChIKeyVAIPUXKJAZLOHD-UHFFFAOYSA-N
XLogP4.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-butan-2-ylsulfanyl-N-methyl-1-(4-propoxyphenyl)ethanamine
CID 64613214
2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 64613834
2-butan-2-ylsulfanyl-N-methyl-1-phenylethanamine
CID 64613225
N-methyl-1-(4-propan-2-yloxyphenyl)-2-propylsulfanylethanamine
CID 64615512
2-butan-2-ylsulfanyl-N-methyl-1-(4-phenylphenyl)ethanamine
CID 64614449
N-methyl-1-(4-propan-2-yloxyphenyl)hexan-1-amine
CID 43485534
N,2-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine
CID 43485559
N-methyl-1-(4-propan-2-yloxyphenyl)-2-(2-propoxyethoxy)ethanamine
CID 63685624
[2-butan-2-ylsulfanyl-1-(4-propoxyphenyl)ethyl]hydrazine
CID 105227278
4-methoxy-N,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine
CID 105144752
2-butan-2-ylsulfanyl-1-(3-fluorophenyl)-N-methylethanamine
CID 65136489
3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-2-ol
CID 107772633

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of 2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine (CID 64613215) is 2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for 2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for 2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine is CCC(C)SCC(NC)c1ccc(OC(C)C)cc1.
What is the InChIKey of 2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine?
The InChIKey is VAIPUXKJAZLOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-6-13(4)19-11-16(17-5)14-7-9-15(10-8-14)18-12(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-yloxyphenyl)ethanamine?
2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine has a molecular weight of 281.47 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 64613215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).