4-ethoxy-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butan-1-amine

C13H23NO2S — CID 62577779

IUPAC4-ethoxy-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butan-1-amine
SMILESCCOCCCCNCCSCc1ccco1
InChIInChI=1S/C13H23NO2S/c1-2-15-9-4-3-7-14-8-11-17-12-13-6-5-10-16-13/h5-6,10,14H,2-4,7-9,11-12H2,1H3
InChIKeyLYTTZTWMKROTBI-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.92
Rot. Bonds11

About 4-ethoxy-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butan-1-amine

4-ethoxy-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butan-1-amine (PubChem CID 62577779) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butan-1-amine.

Molecular Properties

Compound Name4-ethoxy-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butan-1-amine
PubChem CID62577779
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC Name4-ethoxy-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butan-1-amine
SMILESCCOCCCCNCCSCc1ccco1
InChIInChI=1S/C13H23NO2S/c1-2-15-9-4-3-7-14-8-11-17-12-13-6-5-10-16-13/h5-6,10,14H,2-4,7-9,11-12H2,1H3
InChIKeyLYTTZTWMKROTBI-UHFFFAOYSA-N
XLogP2.92
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-ethoxy-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethoxy-N-[2-(furan-2-ylmethoxy)ethyl]propan-1-amine
CID 62565573
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60690765
5-(furan-2-ylmethoxy)-N-propylpentan-1-amine
CID 62445042
N-(2-butoxyethyl)-2-(furan-2-yl)ethanamine
CID 61483217
4-ethoxy-N-(2-ethoxyethyl)butan-1-amine
CID 62565193
2-(furan-2-ylmethylsulfanyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 60663461
1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]thiourea
CID 113218414
4-ethoxy-N-[2-(2-methylpropylsulfanyl)ethyl]butan-1-amine
CID 62576535
N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentanamine
CID 60663449
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-methylbutan-2-amine
CID 62578853
1-ethyl-3-[2-(furan-2-ylmethylsulfanyl)ethyl]thiourea
CID 8769278
N-[2-(furan-2-ylmethylsulfanyl)ethyl]pentan-2-amine
CID 62577157

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butan-1-amine?
The IUPAC name of 4-ethoxy-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butan-1-amine (CID 62577779) is 4-ethoxy-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butan-1-amine.
What is the SMILES notation for 4-ethoxy-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butan-1-amine?
The canonical SMILES for 4-ethoxy-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butan-1-amine is CCOCCCCNCCSCc1ccco1.
What is the InChIKey of 4-ethoxy-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butan-1-amine?
The InChIKey is LYTTZTWMKROTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-2-15-9-4-3-7-14-8-11-17-12-13-6-5-10-16-13/h5-6,10,14H,2-4,7-9,11-12H2,1H3.
What are the key properties of 4-ethoxy-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butan-1-amine?
4-ethoxy-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butan-1-amine has a molecular weight of 257.40 g/mol, XLogP of 2.92, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butan-1-amine is sourced from PubChem (CID 62577779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).