5-ethoxy-3-N-ethyl-3-N-(furan-2-ylmethyl)benzene-1,3-diamine

C15H20N2O2 — CID 80730860

IUPAC5-ethoxy-3-N-ethyl-3-N-(furan-2-ylmethyl)benzene-1,3-diamine
SMILESCCOc1cc(N)cc(N(CC)Cc2ccco2)c1
InChIInChI=1S/C15H20N2O2/c1-3-17(11-14-6-5-7-19-14)13-8-12(16)9-15(10-13)18-4-2/h5-10H,3-4,11,16H2,1-2H3
InChIKeyODEZEXDUJUWFJQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.29
Rot. Bonds6

About 5-ethoxy-3-N-ethyl-3-N-(furan-2-ylmethyl)benzene-1,3-diamine

5-ethoxy-3-N-ethyl-3-N-(furan-2-ylmethyl)benzene-1,3-diamine (PubChem CID 80730860) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-ethoxy-3-N-ethyl-3-N-(furan-2-ylmethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-ethoxy-3-N-ethyl-3-N-(furan-2-ylmethyl)benzene-1,3-diamine
PubChem CID80730860
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name5-ethoxy-3-N-ethyl-3-N-(furan-2-ylmethyl)benzene-1,3-diamine
SMILESCCOc1cc(N)cc(N(CC)Cc2ccco2)c1
InChIInChI=1S/C15H20N2O2/c1-3-17(11-14-6-5-7-19-14)13-8-12(16)9-15(10-13)18-4-2/h5-10H,3-4,11,16H2,1-2H3
InChIKeyODEZEXDUJUWFJQ-UHFFFAOYSA-N
XLogP3.29
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethoxy-3-N-ethyl-3-N-[(2-methylphenyl)methyl]benzene-1,3-diamine
CID 80725020
3-amino-5-ethoxy-N-ethyl-N-(furan-2-ylmethyl)benzamide
CID 81093317
5-ethoxy-3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine
CID 80728549
ethyl 5-amino-2-[ethyl(furan-2-ylmethyl)amino]benzoate
CID 61421320
5-ethoxy-3-N-ethyl-3-N-methylbenzene-1,3-diamine
CID 80722151
3-(aminomethyl)-5-bromo-N-ethyl-N-(furan-2-ylmethyl)aniline
CID 102813620
3-N,3-N-dibutyl-5-ethoxybenzene-1,3-diamine
CID 80722097
[4-[ethyl(furan-2-ylmethyl)amino]-2-pyridinyl]methanol
CID 61423124
6-(1-aminopropyl)-N-ethyl-N-(furan-2-ylmethyl)pyridin-3-amine
CID 112584265
2-N-ethyl-2-N-(furan-2-ylmethyl)-3-methylbenzene-1,2-diamine
CID 113333708
2-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)pyridin-4-amine
CID 62288315
3-[3-[ethyl(furan-2-ylmethyl)amino]propoxy]aniline
CID 61423541

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-N-ethyl-3-N-(furan-2-ylmethyl)benzene-1,3-diamine?
The IUPAC name of 5-ethoxy-3-N-ethyl-3-N-(furan-2-ylmethyl)benzene-1,3-diamine (CID 80730860) is 5-ethoxy-3-N-ethyl-3-N-(furan-2-ylmethyl)benzene-1,3-diamine.
What is the SMILES notation for 5-ethoxy-3-N-ethyl-3-N-(furan-2-ylmethyl)benzene-1,3-diamine?
The canonical SMILES for 5-ethoxy-3-N-ethyl-3-N-(furan-2-ylmethyl)benzene-1,3-diamine is CCOc1cc(N)cc(N(CC)Cc2ccco2)c1.
What is the InChIKey of 5-ethoxy-3-N-ethyl-3-N-(furan-2-ylmethyl)benzene-1,3-diamine?
The InChIKey is ODEZEXDUJUWFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-17(11-14-6-5-7-19-14)13-8-12(16)9-15(10-13)18-4-2/h5-10H,3-4,11,16H2,1-2H3.
What are the key properties of 5-ethoxy-3-N-ethyl-3-N-(furan-2-ylmethyl)benzene-1,3-diamine?
5-ethoxy-3-N-ethyl-3-N-(furan-2-ylmethyl)benzene-1,3-diamine has a molecular weight of 260.34 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-N-ethyl-3-N-(furan-2-ylmethyl)benzene-1,3-diamine is sourced from PubChem (CID 80730860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).