3-[2-(ethylamino)-2-(4-methoxyphenyl)ethyl]sulfanylbutan-1-ol

C15H25NO2S — CID 66138225

IUPAC3-[2-(ethylamino)-2-(4-methoxyphenyl)ethyl]sulfanylbutan-1-ol
SMILESCCNC(CSC(C)CCO)c1ccc(OC)cc1
InChIInChI=1S/C15H25NO2S/c1-4-16-15(11-19-12(2)9-10-17)13-5-7-14(18-3)8-6-13/h5-8,12,15-17H,4,9-11H2,1-3H3
InChIKeyGPSDPCLAFOKRCW-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.85
Rot. Bonds9

About 3-[2-(ethylamino)-2-(4-methoxyphenyl)ethyl]sulfanylbutan-1-ol

3-[2-(ethylamino)-2-(4-methoxyphenyl)ethyl]sulfanylbutan-1-ol (PubChem CID 66138225) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 3-[2-(ethylamino)-2-(4-methoxyphenyl)ethyl]sulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[2-(ethylamino)-2-(4-methoxyphenyl)ethyl]sulfanylbutan-1-ol
PubChem CID66138225
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name3-[2-(ethylamino)-2-(4-methoxyphenyl)ethyl]sulfanylbutan-1-ol
SMILESCCNC(CSC(C)CCO)c1ccc(OC)cc1
InChIInChI=1S/C15H25NO2S/c1-4-16-15(11-19-12(2)9-10-17)13-5-7-14(18-3)8-6-13/h5-8,12,15-17H,4,9-11H2,1-3H3
InChIKeyGPSDPCLAFOKRCW-UHFFFAOYSA-N
XLogP2.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 64621974
2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 64628145
N-ethyl-1-(4-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine
CID 64622182
N-ethyl-4,4,4-trifluoro-1-(4-methoxyphenyl)butan-1-amine
CID 64567410
methyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate
CID 65235012
N-ethyl-1-(4-methoxyphenyl)hex-4-yn-1-amine
CID 104804297
2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 64634610
N-ethyl-1-(4-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 64626083
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 143132018
ethyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate
CID 65233826
3-[[2-amino-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol
CID 83177620
2-(4-hydroxybutan-2-ylsulfanyl)-1-(4-methoxyphenyl)ethanone
CID 66136822

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)-2-(4-methoxyphenyl)ethyl]sulfanylbutan-1-ol?
The IUPAC name of 3-[2-(ethylamino)-2-(4-methoxyphenyl)ethyl]sulfanylbutan-1-ol (CID 66138225) is 3-[2-(ethylamino)-2-(4-methoxyphenyl)ethyl]sulfanylbutan-1-ol.
What is the SMILES notation for 3-[2-(ethylamino)-2-(4-methoxyphenyl)ethyl]sulfanylbutan-1-ol?
The canonical SMILES for 3-[2-(ethylamino)-2-(4-methoxyphenyl)ethyl]sulfanylbutan-1-ol is CCNC(CSC(C)CCO)c1ccc(OC)cc1.
What is the InChIKey of 3-[2-(ethylamino)-2-(4-methoxyphenyl)ethyl]sulfanylbutan-1-ol?
The InChIKey is GPSDPCLAFOKRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-4-16-15(11-19-12(2)9-10-17)13-5-7-14(18-3)8-6-13/h5-8,12,15-17H,4,9-11H2,1-3H3.
What are the key properties of 3-[2-(ethylamino)-2-(4-methoxyphenyl)ethyl]sulfanylbutan-1-ol?
3-[2-(ethylamino)-2-(4-methoxyphenyl)ethyl]sulfanylbutan-1-ol has a molecular weight of 283.44 g/mol, XLogP of 2.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)-2-(4-methoxyphenyl)ethyl]sulfanylbutan-1-ol is sourced from PubChem (CID 66138225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).