N-ethyl-1-[4-(2-ethylsulfanylethoxy)-3-methylphenyl]ethanamine

C15H25NOS — CID 113473493

IUPACN-ethyl-1-[4-(2-ethylsulfanylethoxy)-3-methylphenyl]ethanamine
SMILESCCNC(C)c1ccc(OCCSCC)c(C)c1
InChIInChI=1S/C15H25NOS/c1-5-16-13(4)14-7-8-15(12(3)11-14)17-9-10-18-6-2/h7-8,11,13,16H,5-6,9-10H2,1-4H3
InChIKeyATJFOHTUSIDXOR-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.80
Rot. Bonds8

About N-ethyl-1-[4-(2-ethylsulfanylethoxy)-3-methylphenyl]ethanamine

N-ethyl-1-[4-(2-ethylsulfanylethoxy)-3-methylphenyl]ethanamine (PubChem CID 113473493) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is N-ethyl-1-[4-(2-ethylsulfanylethoxy)-3-methylphenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[4-(2-ethylsulfanylethoxy)-3-methylphenyl]ethanamine
PubChem CID113473493
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC NameN-ethyl-1-[4-(2-ethylsulfanylethoxy)-3-methylphenyl]ethanamine
SMILESCCNC(C)c1ccc(OCCSCC)c(C)c1
InChIInChI=1S/C15H25NOS/c1-5-16-13(4)14-7-8-15(12(3)11-14)17-9-10-18-6-2/h7-8,11,13,16H,5-6,9-10H2,1-4H3
InChIKeyATJFOHTUSIDXOR-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
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

N,N-dimethyl-3-[2-methyl-4-[1-(propylamino)ethyl]phenoxy]propan-1-amine
CID 114524933
1-(4-ethoxy-3-methylphenyl)-N-methylethanamine
CID 82491203
1-(2-ethylsulfanylethoxy)-4-methyl-2-propan-2-ylbenzene
CID 151512691
N-ethyl-1-[3-fluoro-4-(3-methylbutoxy)phenyl]ethanamine
CID 43285081
2-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]ethanol
CID 43284900
N-ethyl-1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethanamine
CID 43279451
N-ethyl-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine
CID 43285227
1-(4-chloro-3-methylphenyl)-N-ethylethanamine
CID 115781009
4-bromo-2-(2-ethylsulfanylethoxy)-1-methylbenzene
CID 107284056
1-[4-(4-bromo-2-methylphenoxy)-3-chlorophenyl]-N-ethylethanamine
CID 63533186
1-(3-bromo-4-octoxyphenyl)-N-ethylethanamine
CID 63533481
4-[2-chloro-4-[1-(ethylamino)ethyl]phenoxy]butan-1-ol
CID 113389746

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-(2-ethylsulfanylethoxy)-3-methylphenyl]ethanamine?
The IUPAC name of N-ethyl-1-[4-(2-ethylsulfanylethoxy)-3-methylphenyl]ethanamine (CID 113473493) is N-ethyl-1-[4-(2-ethylsulfanylethoxy)-3-methylphenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[4-(2-ethylsulfanylethoxy)-3-methylphenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[4-(2-ethylsulfanylethoxy)-3-methylphenyl]ethanamine is CCNC(C)c1ccc(OCCSCC)c(C)c1.
What is the InChIKey of N-ethyl-1-[4-(2-ethylsulfanylethoxy)-3-methylphenyl]ethanamine?
The InChIKey is ATJFOHTUSIDXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-5-16-13(4)14-7-8-15(12(3)11-14)17-9-10-18-6-2/h7-8,11,13,16H,5-6,9-10H2,1-4H3.
What are the key properties of N-ethyl-1-[4-(2-ethylsulfanylethoxy)-3-methylphenyl]ethanamine?
N-ethyl-1-[4-(2-ethylsulfanylethoxy)-3-methylphenyl]ethanamine has a molecular weight of 267.44 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-(2-ethylsulfanylethoxy)-3-methylphenyl]ethanamine is sourced from PubChem (CID 113473493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).