2-tert-butylsulfanyl-1-(2,5-dimethoxyphenyl)-N-ethylethanamine

C16H27NO2S — CID 64614286

IUPAC2-tert-butylsulfanyl-1-(2,5-dimethoxyphenyl)-N-ethylethanamine
SMILESCCNC(CSC(C)(C)C)c1cc(OC)ccc1OC
InChIInChI=1S/C16H27NO2S/c1-7-17-14(11-20-16(2,3)4)13-10-12(18-5)8-9-15(13)19-6/h8-10,14,17H,7,11H2,1-6H3
InChIKeyGHLMICAQOKTQFN-UHFFFAOYSA-N
MW297.46 g/mol
LogP3.89
Rot. Bonds7

About 2-tert-butylsulfanyl-1-(2,5-dimethoxyphenyl)-N-ethylethanamine

2-tert-butylsulfanyl-1-(2,5-dimethoxyphenyl)-N-ethylethanamine (PubChem CID 64614286) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-1-(2,5-dimethoxyphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-tert-butylsulfanyl-1-(2,5-dimethoxyphenyl)-N-ethylethanamine
PubChem CID64614286
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC Name2-tert-butylsulfanyl-1-(2,5-dimethoxyphenyl)-N-ethylethanamine
SMILESCCNC(CSC(C)(C)C)c1cc(OC)ccc1OC
InChIInChI=1S/C16H27NO2S/c1-7-17-14(11-20-16(2,3)4)13-10-12(18-5)8-9-15(13)19-6/h8-10,14,17H,7,11H2,1-6H3
InChIKeyGHLMICAQOKTQFN-UHFFFAOYSA-N
XLogP3.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43489494
N-[2-tert-butylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethyl]propan-1-amine
CID 82770576
1-(2,5-dimethoxyphenyl)-N-ethyl-2-thiophen-2-ylsulfanylethanamine
CID 64612970
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
CID 116758051
1-(2,5-dimethoxyphenyl)-N-ethylhex-4-yn-1-amine
CID 105037382
2-tert-butylsulfanyl-N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680622
2-tert-butylsulfanyl-N-ethyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 65133009
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43489495
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxybutan-1-amine
CID 116715821
1-(2,4-dimethoxyphenyl)-N-ethyl-2-propylsulfanylethanamine
CID 64615524
N-[1-(2,5-dimethoxyphenyl)propyl]-2-methylpropan-1-amine
CID 133148384
1-(2,5-dimethoxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43495216

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-1-(2,5-dimethoxyphenyl)-N-ethylethanamine?
The IUPAC name of 2-tert-butylsulfanyl-1-(2,5-dimethoxyphenyl)-N-ethylethanamine (CID 64614286) is 2-tert-butylsulfanyl-1-(2,5-dimethoxyphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-tert-butylsulfanyl-1-(2,5-dimethoxyphenyl)-N-ethylethanamine?
The canonical SMILES for 2-tert-butylsulfanyl-1-(2,5-dimethoxyphenyl)-N-ethylethanamine is CCNC(CSC(C)(C)C)c1cc(OC)ccc1OC.
What is the InChIKey of 2-tert-butylsulfanyl-1-(2,5-dimethoxyphenyl)-N-ethylethanamine?
The InChIKey is GHLMICAQOKTQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-7-17-14(11-20-16(2,3)4)13-10-12(18-5)8-9-15(13)19-6/h8-10,14,17H,7,11H2,1-6H3.
What are the key properties of 2-tert-butylsulfanyl-1-(2,5-dimethoxyphenyl)-N-ethylethanamine?
2-tert-butylsulfanyl-1-(2,5-dimethoxyphenyl)-N-ethylethanamine has a molecular weight of 297.46 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-1-(2,5-dimethoxyphenyl)-N-ethylethanamine is sourced from PubChem (CID 64614286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).