3-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline

C17H23NO3 — CID 43729965

IUPAC3-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline
SMILESCCOc1cc(NC(C)CCc2ccco2)ccc1OC
InChIInChI=1S/C17H23NO3/c1-4-20-17-12-14(8-10-16(17)19-3)18-13(2)7-9-15-6-5-11-21-15/h5-6,8,10-13,18H,4,7,9H2,1-3H3
InChIKeyXLSLSOVHCJKWQA-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.12
Rot. Bonds8

About 3-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline

3-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline (PubChem CID 43729965) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline.

Molecular Properties

Compound Name3-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline
PubChem CID43729965
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name3-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline
SMILESCCOc1cc(NC(C)CCc2ccco2)ccc1OC
InChIInChI=1S/C17H23NO3/c1-4-20-17-12-14(8-10-16(17)19-3)18-13(2)7-9-15-6-5-11-21-15/h5-6,8,10-13,18H,4,7,9H2,1-3H3
InChIKeyXLSLSOVHCJKWQA-UHFFFAOYSA-N
XLogP4.12
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-ethoxy-5-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol
CID 60980334
3-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline
CID 43478969
5-[4-(furan-2-yl)butan-2-ylamino]-2-methoxyphenol
CID 43743871
N-[1-(furan-2-yl)propan-2-yl]-3,4-dimethoxyaniline
CID 63099420
N-[4-(furan-2-yl)butan-2-yl]-3-methoxy-4-nitroaniline
CID 63670300
N-[4-(furan-2-yl)butan-2-yl]-2,5-dimethoxyaniline
CID 43478801
2-N-[4-(furan-2-yl)butan-2-yl]-4,5-dimethoxybenzene-1,2-diamine
CID 83004449
3-ethoxy-4-methoxy-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534427
N-[4-(furan-2-yl)butan-2-yl]-4-propylaniline
CID 43478896
4-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-2-methylaniline
CID 60935377
N-[4-(furan-2-yl)butan-2-yl]-6-(2-methoxyethoxy)pyridin-3-amine
CID 43688437
3-ethoxy-4-methoxy-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64629532

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline?
The IUPAC name of 3-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline (CID 43729965) is 3-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline.
What is the SMILES notation for 3-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline?
The canonical SMILES for 3-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline is CCOc1cc(NC(C)CCc2ccco2)ccc1OC.
What is the InChIKey of 3-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline?
The InChIKey is XLSLSOVHCJKWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-4-20-17-12-14(8-10-16(17)19-3)18-13(2)7-9-15-6-5-11-21-15/h5-6,8,10-13,18H,4,7,9H2,1-3H3.
What are the key properties of 3-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline?
3-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline has a molecular weight of 289.38 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline is sourced from PubChem (CID 43729965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).