1-(2-ethoxyphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine

C15H25NOS — CID 64632455

IUPAC1-(2-ethoxyphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine
SMILESCCNC(CSC(C)C)c1ccccc1OCC
InChIInChI=1S/C15H25NOS/c1-5-16-14(11-18-12(3)4)13-9-7-8-10-15(13)17-6-2/h7-10,12,14,16H,5-6,11H2,1-4H3
InChIKeyQZIXBCNOGLNZOI-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.88
Rot. Bonds8

About 1-(2-ethoxyphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine

1-(2-ethoxyphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine (PubChem CID 64632455) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine
PubChem CID64632455
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name1-(2-ethoxyphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine
SMILESCCNC(CSC(C)C)c1ccccc1OCC
InChIInChI=1S/C15H25NOS/c1-5-16-14(11-18-12(3)4)13-9-7-8-10-15(13)17-6-2/h7-10,12,14,16H,5-6,11H2,1-4H3
InChIKeyQZIXBCNOGLNZOI-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine
CID 64633258
2-butylsulfanyl-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 64612320
1-(2-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 62802882
2-butan-2-ylsulfanyl-N-ethyl-1-[2-(2-methoxyethoxy)phenyl]ethanamine
CID 104660236
N-methyl-2-propan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanamine
CID 104660213
1-(2-ethoxyphenyl)-N-ethyl-2-methoxy-3-methylbutan-1-amine
CID 116720230
1-(2-ethoxyphenyl)-2-(1-ethoxypropan-2-yloxy)-N-ethylethanamine
CID 103487528
1-(2-ethoxyphenyl)-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 64619818
1-(2-ethoxyphenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 61066318
2-tert-butylsulfinyl-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 64650902
1-(2-ethoxyphenyl)-N-ethyl-2,2-dimethoxyethanamine
CID 79492567
1-(2-ethoxyphenyl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 115533968

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine?
The IUPAC name of 1-(2-ethoxyphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine (CID 64632455) is 1-(2-ethoxyphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine?
The canonical SMILES for 1-(2-ethoxyphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine is CCNC(CSC(C)C)c1ccccc1OCC.
What is the InChIKey of 1-(2-ethoxyphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine?
The InChIKey is QZIXBCNOGLNZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-5-16-14(11-18-12(3)4)13-9-7-8-10-15(13)17-6-2/h7-10,12,14,16H,5-6,11H2,1-4H3.
What are the key properties of 1-(2-ethoxyphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine?
1-(2-ethoxyphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine has a molecular weight of 267.44 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine is sourced from PubChem (CID 64632455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).