1-(furan-2-yl)-N-[2-(4-methylsulfanylphenoxy)ethyl]ethanamine

C15H19NO2S — CID 63649726

IUPAC1-(furan-2-yl)-N-[2-(4-methylsulfanylphenoxy)ethyl]ethanamine
SMILESCSc1ccc(OCCNC(C)c2ccco2)cc1
InChIInChI=1S/C15H19NO2S/c1-12(15-4-3-10-18-15)16-9-11-17-13-5-7-14(19-2)8-6-13/h3-8,10,12,16H,9,11H2,1-2H3
InChIKeyZHDSZHMBKREUTN-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.73
Rot. Bonds7

About 1-(furan-2-yl)-N-[2-(4-methylsulfanylphenoxy)ethyl]ethanamine

1-(furan-2-yl)-N-[2-(4-methylsulfanylphenoxy)ethyl]ethanamine (PubChem CID 63649726) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[2-(4-methylsulfanylphenoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[2-(4-methylsulfanylphenoxy)ethyl]ethanamine
PubChem CID63649726
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name1-(furan-2-yl)-N-[2-(4-methylsulfanylphenoxy)ethyl]ethanamine
SMILESCSc1ccc(OCCNC(C)c2ccco2)cc1
InChIInChI=1S/C15H19NO2S/c1-12(15-4-3-10-18-15)16-9-11-17-13-5-7-14(19-2)8-6-13/h3-8,10,12,16H,9,11H2,1-2H3
InChIKeyZHDSZHMBKREUTN-UHFFFAOYSA-N
XLogP3.73
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(furan-2-yl)-N-(2-phenoxyethyl)ethanamine
CID 81400353
4-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide
CID 81392882
1-(furan-2-yl)-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]ethanamine
CID 116803887
5-methyl-N-[2-(4-methylsulfanylphenoxy)ethyl]hexan-2-amine
CID 55245786
(1S)-N-(2-ethoxyethyl)-1-(furan-2-yl)ethanamine
CID 81399975
N-[1-(furan-2-yl)ethyl]-3-methoxypropan-1-amine
CID 43205063
3-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]ethoxy]benzoic acid
CID 103260045
1-(furan-2-yl)-N-[2-(3-methylbutoxy)ethyl]ethanamine
CID 61483869
N-[2-(2-tert-butylphenoxy)ethyl]-1-(furan-2-yl)ethanamine
CID 62571794
1-(furan-2-yl)-N-(2-pentan-2-yloxyethyl)ethanamine
CID 102987416
N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]-1-(furan-2-yl)ethanamine
CID 107101788
3-(furan-2-ylmethoxy)-N-[1-(4-methylsulfanylphenyl)ethyl]propan-1-amine
CID 43110405

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[2-(4-methylsulfanylphenoxy)ethyl]ethanamine?
The IUPAC name of 1-(furan-2-yl)-N-[2-(4-methylsulfanylphenoxy)ethyl]ethanamine (CID 63649726) is 1-(furan-2-yl)-N-[2-(4-methylsulfanylphenoxy)ethyl]ethanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-[2-(4-methylsulfanylphenoxy)ethyl]ethanamine?
The canonical SMILES for 1-(furan-2-yl)-N-[2-(4-methylsulfanylphenoxy)ethyl]ethanamine is CSc1ccc(OCCNC(C)c2ccco2)cc1.
What is the InChIKey of 1-(furan-2-yl)-N-[2-(4-methylsulfanylphenoxy)ethyl]ethanamine?
The InChIKey is ZHDSZHMBKREUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-12(15-4-3-10-18-15)16-9-11-17-13-5-7-14(19-2)8-6-13/h3-8,10,12,16H,9,11H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-N-[2-(4-methylsulfanylphenoxy)ethyl]ethanamine?
1-(furan-2-yl)-N-[2-(4-methylsulfanylphenoxy)ethyl]ethanamine has a molecular weight of 277.39 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[2-(4-methylsulfanylphenoxy)ethyl]ethanamine is sourced from PubChem (CID 63649726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).