2-butylsulfanyl-1-(2-ethoxyphenyl)-N-ethylethanamine

C16H27NOS — CID 64612320

IUPAC2-butylsulfanyl-1-(2-ethoxyphenyl)-N-ethylethanamine
SMILESCCCCSCC(NCC)c1ccccc1OCC
InChIInChI=1S/C16H27NOS/c1-4-7-12-19-13-15(17-5-2)14-10-8-9-11-16(14)18-6-3/h8-11,15,17H,4-7,12-13H2,1-3H3
InChIKeyFMUDFEKBHFPFRY-UHFFFAOYSA-N
MW281.47 g/mol
LogP4.27
Rot. Bonds10

About 2-butylsulfanyl-1-(2-ethoxyphenyl)-N-ethylethanamine

2-butylsulfanyl-1-(2-ethoxyphenyl)-N-ethylethanamine (PubChem CID 64612320) has the molecular formula C16H27NOS and a molecular weight of 281.47 g/mol. Its IUPAC name is 2-butylsulfanyl-1-(2-ethoxyphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-butylsulfanyl-1-(2-ethoxyphenyl)-N-ethylethanamine
PubChem CID64612320
Molecular FormulaC16H27NOS
Molecular Weight281.47 g/mol
Exact Mass281.18
IUPAC Name2-butylsulfanyl-1-(2-ethoxyphenyl)-N-ethylethanamine
SMILESCCCCSCC(NCC)c1ccccc1OCC
InChIInChI=1S/C16H27NOS/c1-4-7-12-19-13-15(17-5-2)14-10-8-9-11-16(14)18-6-3/h8-11,15,17H,4-7,12-13H2,1-3H3
InChIKeyFMUDFEKBHFPFRY-UHFFFAOYSA-N
XLogP4.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
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

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 64632455
2-butylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 64610280
N-[1-(2-methoxyphenyl)-2-pentylsulfanylethyl]propan-1-amine
CID 107763020
N-ethyl-1-naphthalen-1-yl-2-pentylsulfanylethanamine
CID 107762967
N-[1-(2-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine
CID 64633258
1-(2,4-dimethoxyphenyl)-N-ethyl-2-pentylsulfanylethanamine
CID 107763149
1-(2-ethoxyphenyl)-N-propylpentan-1-amine
CID 79411524
1-(2-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 62802882
1-(2-ethoxyphenyl)-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 64619818
1-(2-ethoxyphenyl)-2-propylsulfanylethanol
CID 65129597
1-(2-ethoxyphenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 61066318
2-tert-butylsulfinyl-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 64650902

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-1-(2-ethoxyphenyl)-N-ethylethanamine?
The IUPAC name of 2-butylsulfanyl-1-(2-ethoxyphenyl)-N-ethylethanamine (CID 64612320) is 2-butylsulfanyl-1-(2-ethoxyphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-butylsulfanyl-1-(2-ethoxyphenyl)-N-ethylethanamine?
The canonical SMILES for 2-butylsulfanyl-1-(2-ethoxyphenyl)-N-ethylethanamine is CCCCSCC(NCC)c1ccccc1OCC.
What is the InChIKey of 2-butylsulfanyl-1-(2-ethoxyphenyl)-N-ethylethanamine?
The InChIKey is FMUDFEKBHFPFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-4-7-12-19-13-15(17-5-2)14-10-8-9-11-16(14)18-6-3/h8-11,15,17H,4-7,12-13H2,1-3H3.
What are the key properties of 2-butylsulfanyl-1-(2-ethoxyphenyl)-N-ethylethanamine?
2-butylsulfanyl-1-(2-ethoxyphenyl)-N-ethylethanamine has a molecular weight of 281.47 g/mol, XLogP of 4.27, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-1-(2-ethoxyphenyl)-N-ethylethanamine is sourced from PubChem (CID 64612320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).