2-tert-butylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine

C16H27NO2S — CID 104660220

IUPAC2-tert-butylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine
SMILESCNC(CSC(C)(C)C)c1ccccc1OCCOC
InChIInChI=1S/C16H27NO2S/c1-16(2,3)20-12-14(17-4)13-8-6-7-9-15(13)19-11-10-18-5/h6-9,14,17H,10-12H2,1-5H3
InChIKeySORXSYNALWRJBN-UHFFFAOYSA-N
MW297.46 g/mol
LogP3.50
Rot. Bonds8

About 2-tert-butylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine

2-tert-butylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine (PubChem CID 104660220) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-tert-butylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine
PubChem CID104660220
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC Name2-tert-butylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine
SMILESCNC(CSC(C)(C)C)c1ccccc1OCCOC
InChIInChI=1S/C16H27NO2S/c1-16(2,3)20-12-14(17-4)13-8-6-7-9-15(13)19-11-10-18-5/h6-9,14,17H,10-12H2,1-5H3
InChIKeySORXSYNALWRJBN-UHFFFAOYSA-N
XLogP3.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-1-[2-(2-methoxyethoxy)phenyl]-N,2-dimethylpropan-1-amine
CID 104660418
1-[2-(2-methoxyethoxy)phenyl]-N-methylheptan-1-amine
CID 105035211
[2-methoxy-1-[2-(2-methoxyethoxy)phenyl]-2-methylpropyl]hydrazine
CID 105245524
1-[2-(3-methoxy-3-methylbutoxy)phenyl]-N-methylpropan-1-amine
CID 103032683
2-(1,3-dioxolan-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine
CID 103547148
N-methyl-2-propan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanamine
CID 104660213
1-(2-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine
CID 104659993
2-butan-2-ylsulfanyl-N-ethyl-1-[2-(2-methoxyethoxy)phenyl]ethanamine
CID 104660236
N-ethyl-4-methoxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine
CID 104660193
1-[2-(2-methoxyethoxy)phenyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 104659836
N-ethyl-1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylethanamine
CID 105035305
N-ethyl-4,4,4-trifluoro-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine
CID 104660475

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine?
The IUPAC name of 2-tert-butylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine (CID 104660220) is 2-tert-butylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 2-tert-butylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 2-tert-butylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine is CNC(CSC(C)(C)C)c1ccccc1OCCOC.
What is the InChIKey of 2-tert-butylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine?
The InChIKey is SORXSYNALWRJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-16(2,3)20-12-14(17-4)13-8-6-7-9-15(13)19-11-10-18-5/h6-9,14,17H,10-12H2,1-5H3.
What are the key properties of 2-tert-butylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine?
2-tert-butylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine has a molecular weight of 297.46 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 104660220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).