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

C11H19NO2S — CID 62578864

IUPAC1-(furan-2-yl)-N-[2-(2-methoxyethylsulfanyl)ethyl]ethanamine
SMILESCOCCSCCNC(C)c1ccco1
InChIInChI=1S/C11H19NO2S/c1-10(11-4-3-6-14-11)12-5-8-15-9-7-13-2/h3-4,6,10,12H,5,7-9H2,1-2H3
InChIKeyCRIZNGUTHGSLBW-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.31
Rot. Bonds8

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

1-(furan-2-yl)-N-[2-(2-methoxyethylsulfanyl)ethyl]ethanamine (PubChem CID 62578864) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[2-(2-methoxyethylsulfanyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[2-(2-methoxyethylsulfanyl)ethyl]ethanamine
PubChem CID62578864
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name1-(furan-2-yl)-N-[2-(2-methoxyethylsulfanyl)ethyl]ethanamine
SMILESCOCCSCCNC(C)c1ccco1
InChIInChI=1S/C11H19NO2S/c1-10(11-4-3-6-14-11)12-5-8-15-9-7-13-2/h3-4,6,10,12H,5,7-9H2,1-2H3
InChIKeyCRIZNGUTHGSLBW-UHFFFAOYSA-N
XLogP2.31
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.31
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

1-(furan-2-yl)-N-[2-(3-methoxypropylsulfanyl)ethyl]ethanamine
CID 63857447
N-[1-(furan-2-yl)ethyl]-3-methoxypropan-1-amine
CID 43205063
1-(furan-2-yl)-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine
CID 62577775
N'-[1-(furan-2-yl)ethyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62561068
(1S)-N-(2-ethoxyethyl)-1-(furan-2-yl)ethanamine
CID 81399975
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-(furan-2-yl)ethanamine
CID 115707739
1-(furan-2-yl)-N-[2-(2-methoxyphenyl)sulfanylethyl]ethanamine
CID 55092504
N'-ethyl-N-[1-(furan-2-yl)ethyl]-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 62554463
1-(furan-2-yl)-N-[2-(3-methylbutoxy)ethyl]ethanamine
CID 61483869
(1S)-1-(furan-2-yl)-N-(2-phenoxyethyl)ethanamine
CID 81400353
methyl 3-[1-(furan-2-yl)ethylamino]propanoate
CID 43139742
1-(furan-2-yl)-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine
CID 55091940

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[2-(2-methoxyethylsulfanyl)ethyl]ethanamine?
The IUPAC name of 1-(furan-2-yl)-N-[2-(2-methoxyethylsulfanyl)ethyl]ethanamine (CID 62578864) is 1-(furan-2-yl)-N-[2-(2-methoxyethylsulfanyl)ethyl]ethanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-[2-(2-methoxyethylsulfanyl)ethyl]ethanamine?
The canonical SMILES for 1-(furan-2-yl)-N-[2-(2-methoxyethylsulfanyl)ethyl]ethanamine is COCCSCCNC(C)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-[2-(2-methoxyethylsulfanyl)ethyl]ethanamine?
The InChIKey is CRIZNGUTHGSLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-10(11-4-3-6-14-11)12-5-8-15-9-7-13-2/h3-4,6,10,12H,5,7-9H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-N-[2-(2-methoxyethylsulfanyl)ethyl]ethanamine?
1-(furan-2-yl)-N-[2-(2-methoxyethylsulfanyl)ethyl]ethanamine has a molecular weight of 229.34 g/mol, XLogP of 2.31, 8 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-(2-methoxyethylsulfanyl)ethyl]ethanamine is sourced from PubChem (CID 62578864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).