4-[3-fluoro-N-(furan-2-ylmethyl)-4-methoxyanilino]butan-1-ol

C16H20FNO3 — CID 111439826

IUPAC4-[3-fluoro-N-(furan-2-ylmethyl)-4-methoxyanilino]butan-1-ol
SMILESCOc1ccc(N(CCCCO)Cc2ccco2)cc1F
InChIInChI=1S/C16H20FNO3/c1-20-16-7-6-13(11-15(16)17)18(8-2-3-9-19)12-14-5-4-10-21-14/h4-7,10-11,19H,2-3,8-9,12H2,1H3
InChIKeyRUUDTEZKNCONLI-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.21
Rot. Bonds8

About 4-[3-fluoro-N-(furan-2-ylmethyl)-4-methoxyanilino]butan-1-ol

4-[3-fluoro-N-(furan-2-ylmethyl)-4-methoxyanilino]butan-1-ol (PubChem CID 111439826) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 4-[3-fluoro-N-(furan-2-ylmethyl)-4-methoxyanilino]butan-1-ol.

Molecular Properties

Compound Name4-[3-fluoro-N-(furan-2-ylmethyl)-4-methoxyanilino]butan-1-ol
PubChem CID111439826
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name4-[3-fluoro-N-(furan-2-ylmethyl)-4-methoxyanilino]butan-1-ol
SMILESCOc1ccc(N(CCCCO)Cc2ccco2)cc1F
InChIInChI=1S/C16H20FNO3/c1-20-16-7-6-13(11-15(16)17)18(8-2-3-9-19)12-14-5-4-10-21-14/h4-7,10-11,19H,2-3,8-9,12H2,1H3
InChIKeyRUUDTEZKNCONLI-UHFFFAOYSA-N
XLogP3.21
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.21
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

N'-(3,4-difluorophenyl)-N'-(furan-2-ylmethyl)propane-1,3-diamine
CID 28771067
(2R)-1-[3-fluoro-N-(furan-2-ylmethyl)-4-methoxyanilino]-3-pyrazol-1-ylpropan-2-ol
CID 95774408
4-[furan-2-ylmethyl(methyl)amino]butan-1-ol
CID 43527145
N-(2-cyanoethyl)-2-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)acetamide
CID 86910321
1-(3-fluoro-4-methoxyphenyl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 43515412
N'-(furan-2-ylmethyl)-N'-(2-methoxyphenyl)ethane-1,2-diamine
CID 28771828
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-[2-(furan-2-yl)ethyl]-1,2-dimethylguanidine;hydroiodide
CID 111366872
N'-(furan-2-ylmethyl)-N'-(3-methylphenyl)ethane-1,2-diamine
CID 28771280
1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethoxy)ethanone
CID 62029822
3-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline
CID 43478969
1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethylamino)ethanol
CID 112510911
1-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)ethanamine
CID 24704421

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-N-(furan-2-ylmethyl)-4-methoxyanilino]butan-1-ol?
The IUPAC name of 4-[3-fluoro-N-(furan-2-ylmethyl)-4-methoxyanilino]butan-1-ol (CID 111439826) is 4-[3-fluoro-N-(furan-2-ylmethyl)-4-methoxyanilino]butan-1-ol.
What is the SMILES notation for 4-[3-fluoro-N-(furan-2-ylmethyl)-4-methoxyanilino]butan-1-ol?
The canonical SMILES for 4-[3-fluoro-N-(furan-2-ylmethyl)-4-methoxyanilino]butan-1-ol is COc1ccc(N(CCCCO)Cc2ccco2)cc1F.
What is the InChIKey of 4-[3-fluoro-N-(furan-2-ylmethyl)-4-methoxyanilino]butan-1-ol?
The InChIKey is RUUDTEZKNCONLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-20-16-7-6-13(11-15(16)17)18(8-2-3-9-19)12-14-5-4-10-21-14/h4-7,10-11,19H,2-3,8-9,12H2,1H3.
What are the key properties of 4-[3-fluoro-N-(furan-2-ylmethyl)-4-methoxyanilino]butan-1-ol?
4-[3-fluoro-N-(furan-2-ylmethyl)-4-methoxyanilino]butan-1-ol has a molecular weight of 293.34 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-N-(furan-2-ylmethyl)-4-methoxyanilino]butan-1-ol is sourced from PubChem (CID 111439826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).