N-ethyl-1-[4-(oxan-4-ylsulfanyl)phenyl]ethanamine

C15H23NOS — CID 55140918

IUPACN-ethyl-1-[4-(oxan-4-ylsulfanyl)phenyl]ethanamine
SMILESCCNC(C)c1ccc(SC2CCOCC2)cc1
InChIInChI=1S/C15H23NOS/c1-3-16-12(2)13-4-6-14(7-5-13)18-15-8-10-17-11-9-15/h4-7,12,15-16H,3,8-11H2,1-2H3
InChIKeyKVASZUUNJFOXGG-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.63
Rot. Bonds5

About N-ethyl-1-[4-(oxan-4-ylsulfanyl)phenyl]ethanamine

N-ethyl-1-[4-(oxan-4-ylsulfanyl)phenyl]ethanamine (PubChem CID 55140918) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-ethyl-1-[4-(oxan-4-ylsulfanyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[4-(oxan-4-ylsulfanyl)phenyl]ethanamine
PubChem CID55140918
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-ethyl-1-[4-(oxan-4-ylsulfanyl)phenyl]ethanamine
SMILESCCNC(C)c1ccc(SC2CCOCC2)cc1
InChIInChI=1S/C15H23NOS/c1-3-16-12(2)13-4-6-14(7-5-13)18-15-8-10-17-11-9-15/h4-7,12,15-16H,3,8-11H2,1-2H3
InChIKeyKVASZUUNJFOXGG-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[4-(2-methyloxolan-3-yl)sulfanylphenyl]ethanamine
CID 107750520
N-ethyl-1-[2-(oxan-4-ylsulfanyl)-3-pyridinyl]ethanamine
CID 114056862
N-ethyl-1-[4-methoxy-3-(oxan-4-ylsulfanylmethyl)phenyl]ethanamine
CID 64625971
N-[4-[1-(ethylamino)ethyl]phenyl]oxane-4-sulfonamide
CID 62047895
1-(3-cyclohexylsulfanylphenyl)-N-ethylethanamine
CID 64666325
1-[4-(oxolan-3-ylsulfanyl)phenyl]ethylphosphane
CID 143392601
N-methyl-1-[4-(oxetan-3-ylsulfanyl)phenyl]ethanamine
CID 79326298
N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylsulfanyl)ethanamine
CID 64626571
1-(3-chloro-4-cyclopentylsulfanylphenyl)-N-ethylethanamine
CID 63532172
N-ethyl-1-[3-(5-oxaspiro[3.5]nonan-8-ylsulfanyl)phenyl]ethanamine
CID 79906727
1-(4-ethoxyphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine
CID 64625568
N-(oxolan-3-ylmethyl)-1-(4-propylphenyl)ethanamine
CID 54931937

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-(oxan-4-ylsulfanyl)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[4-(oxan-4-ylsulfanyl)phenyl]ethanamine (CID 55140918) is N-ethyl-1-[4-(oxan-4-ylsulfanyl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[4-(oxan-4-ylsulfanyl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[4-(oxan-4-ylsulfanyl)phenyl]ethanamine is CCNC(C)c1ccc(SC2CCOCC2)cc1.
What is the InChIKey of N-ethyl-1-[4-(oxan-4-ylsulfanyl)phenyl]ethanamine?
The InChIKey is KVASZUUNJFOXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-3-16-12(2)13-4-6-14(7-5-13)18-15-8-10-17-11-9-15/h4-7,12,15-16H,3,8-11H2,1-2H3.
What are the key properties of N-ethyl-1-[4-(oxan-4-ylsulfanyl)phenyl]ethanamine?
N-ethyl-1-[4-(oxan-4-ylsulfanyl)phenyl]ethanamine has a molecular weight of 265.42 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-(oxan-4-ylsulfanyl)phenyl]ethanamine is sourced from PubChem (CID 55140918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).