4-(2-ethoxyethoxy)-N-(furan-2-ylmethyl)aniline

C15H19NO3 — CID 54801101

IUPAC4-(2-ethoxyethoxy)-N-(furan-2-ylmethyl)aniline
SMILESCCOCCOc1ccc(NCc2ccco2)cc1
InChIInChI=1S/C15H19NO3/c1-2-17-10-11-19-14-7-5-13(6-8-14)16-12-15-4-3-9-18-15/h3-9,16H,2,10-12H2,1H3
InChIKeyZPZWUOHOSHYTQM-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.31
Rot. Bonds8

About 4-(2-ethoxyethoxy)-N-(furan-2-ylmethyl)aniline

4-(2-ethoxyethoxy)-N-(furan-2-ylmethyl)aniline (PubChem CID 54801101) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)-N-(furan-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)-N-(furan-2-ylmethyl)aniline
PubChem CID54801101
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name4-(2-ethoxyethoxy)-N-(furan-2-ylmethyl)aniline
SMILESCCOCCOc1ccc(NCc2ccco2)cc1
InChIInChI=1S/C15H19NO3/c1-2-17-10-11-19-14-7-5-13(6-8-14)16-12-15-4-3-9-18-15/h3-9,16H,2,10-12H2,1H3
InChIKeyZPZWUOHOSHYTQM-UHFFFAOYSA-N
XLogP3.31
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(dimethylamino)ethoxy]-N-(furan-2-ylmethyl)aniline
CID 54863892
4-(2-ethoxyethoxy)-N-ethylaniline
CID 54801151
N'-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54805793
N-[(4-butoxyphenyl)methyl]-4-(2-ethoxyethoxy)aniline
CID 54801022
N-(furan-2-ylmethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanamine
CID 54797964
N-(furan-2-ylmethyl)-2-(4-heptoxyanilino)acetamide
CID 54821868
3-(2-ethoxyethoxy)-N-[4-(furan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 28638494
N-[4-(furan-2-ylmethylamino)phenyl]ethanesulfonamide
CID 54866288
3-(2-ethoxyethoxy)-N-[[4-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54802106
5-N-(4-ethoxyphenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112947452
N-[[2-(2-ethoxyethoxy)naphthalen-1-yl]methyl]-1-(furan-2-yl)methanamine
CID 54849787
N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)ethanamine
CID 2299658

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethoxy)-N-(furan-2-ylmethyl)aniline?
The IUPAC name of 4-(2-ethoxyethoxy)-N-(furan-2-ylmethyl)aniline (CID 54801101) is 4-(2-ethoxyethoxy)-N-(furan-2-ylmethyl)aniline.
What is the SMILES notation for 4-(2-ethoxyethoxy)-N-(furan-2-ylmethyl)aniline?
The canonical SMILES for 4-(2-ethoxyethoxy)-N-(furan-2-ylmethyl)aniline is CCOCCOc1ccc(NCc2ccco2)cc1.
What is the InChIKey of 4-(2-ethoxyethoxy)-N-(furan-2-ylmethyl)aniline?
The InChIKey is ZPZWUOHOSHYTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-17-10-11-19-14-7-5-13(6-8-14)16-12-15-4-3-9-18-15/h3-9,16H,2,10-12H2,1H3.
What are the key properties of 4-(2-ethoxyethoxy)-N-(furan-2-ylmethyl)aniline?
4-(2-ethoxyethoxy)-N-(furan-2-ylmethyl)aniline has a molecular weight of 261.32 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxy)-N-(furan-2-ylmethyl)aniline is sourced from PubChem (CID 54801101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).