2-butan-2-ylsulfanyl-N-methyl-1-(4-propoxyphenyl)ethanamine

C16H27NOS — CID 64613214

IUPAC2-butan-2-ylsulfanyl-N-methyl-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(CSC(C)CC)NC)cc1
InChIInChI=1S/C16H27NOS/c1-5-11-18-15-9-7-14(8-10-15)16(17-4)12-19-13(3)6-2/h7-10,13,16-17H,5-6,11-12H2,1-4H3
InChIKeyCYOPHPGXQPDEHE-UHFFFAOYSA-N
MW281.47 g/mol
LogP4.27
Rot. Bonds9

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

2-butan-2-ylsulfanyl-N-methyl-1-(4-propoxyphenyl)ethanamine (PubChem CID 64613214) 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-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-N-methyl-1-(4-propoxyphenyl)ethanamine
PubChem CID64613214
Molecular FormulaC16H27NOS
Molecular Weight281.47 g/mol
Exact Mass281.18
IUPAC Name2-butan-2-ylsulfanyl-N-methyl-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(CSC(C)CC)NC)cc1
InChIInChI=1S/C16H27NOS/c1-5-11-18-15-9-7-14(8-10-15)16(17-4)12-19-13(3)6-2/h7-10,13,16-17H,5-6,11-12H2,1-4H3
InChIKeyCYOPHPGXQPDEHE-UHFFFAOYSA-N
XLogP4.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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-1-(4-propoxyphenyl)ethyl]hydrazine
CID 105227278
2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 64613215
2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 64613834
N-methyl-1-[4-(4-propoxyphenyl)phenyl]propan-1-amine
CID 63425079
2-butan-2-ylsulfanyl-N-methyl-1-phenylethanamine
CID 64613225
2-(2-methoxyethylsulfanyl)-N-methyl-1-(4-propoxyphenyl)ethanamine
CID 64613252
N,4-dimethyl-1-(4-propoxyphenyl)pentan-1-amine
CID 62795609
2-butan-2-ylsulfanyl-N-methyl-1-(4-phenylphenyl)ethanamine
CID 64614449
N-methyl-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine
CID 106449842
3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-2-ol
CID 107772633
N-methyl-1-(4-propoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine
CID 64619656
N-methyl-1-(4-propoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 64627300

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-N-methyl-1-(4-propoxyphenyl)ethanamine?
The IUPAC name of 2-butan-2-ylsulfanyl-N-methyl-1-(4-propoxyphenyl)ethanamine (CID 64613214) is 2-butan-2-ylsulfanyl-N-methyl-1-(4-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-butan-2-ylsulfanyl-N-methyl-1-(4-propoxyphenyl)ethanamine?
The canonical SMILES for 2-butan-2-ylsulfanyl-N-methyl-1-(4-propoxyphenyl)ethanamine is CCCOc1ccc(C(CSC(C)CC)NC)cc1.
What is the InChIKey of 2-butan-2-ylsulfanyl-N-methyl-1-(4-propoxyphenyl)ethanamine?
The InChIKey is CYOPHPGXQPDEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-5-11-18-15-9-7-14(8-10-15)16(17-4)12-19-13(3)6-2/h7-10,13,16-17H,5-6,11-12H2,1-4H3.
What are the key properties of 2-butan-2-ylsulfanyl-N-methyl-1-(4-propoxyphenyl)ethanamine?
2-butan-2-ylsulfanyl-N-methyl-1-(4-propoxyphenyl)ethanamine has a molecular weight of 281.47 g/mol, XLogP of 4.27, 9 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-propoxyphenyl)ethanamine is sourced from PubChem (CID 64613214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).