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

C15H18FNO2 — CID 43478969

IUPAC3-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline
SMILESCOc1ccc(NC(C)CCc2ccco2)cc1F
InChIInChI=1S/C15H18FNO2/c1-11(5-7-13-4-3-9-19-13)17-12-6-8-15(18-2)14(16)10-12/h3-4,6,8-11,17H,5,7H2,1-2H3
InChIKeyGDHXUVJAZFAFLX-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.86
Rot. Bonds6

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

3-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline (PubChem CID 43478969) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 3-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline.

Molecular Properties

Compound Name3-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline
PubChem CID43478969
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name3-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline
SMILESCOc1ccc(NC(C)CCc2ccco2)cc1F
InChIInChI=1S/C15H18FNO2/c1-11(5-7-13-4-3-9-19-13)17-12-6-8-15(18-2)14(16)10-12/h3-4,6,8-11,17H,5,7H2,1-2H3
InChIKeyGDHXUVJAZFAFLX-UHFFFAOYSA-N
XLogP3.86
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(furan-2-yl)butan-2-ylamino]-2-methoxyphenol
CID 43743871
3-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline
CID 43729965
N-[4-(furan-2-yl)butan-2-yl]-3-methoxy-4-nitroaniline
CID 63670300
2-fluoro-4-[4-(furan-2-yl)butan-2-ylamino]benzenecarbothioamide
CID 115368107
N-[4-(furan-2-yl)butan-2-yl]-2,5-dimethoxyaniline
CID 43478801
4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propan-2-yl]aniline
CID 63084467
N-[1-(furan-2-yl)propan-2-yl]-3,4-dimethoxyaniline
CID 63099420
[2-ethoxy-5-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol
CID 60980334
2-N-[4-(furan-2-yl)butan-2-yl]-4,5-dimethoxybenzene-1,2-diamine
CID 83004449
1-(3-fluoro-4-methoxyphenyl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 43515412
N-[4-(furan-2-yl)butan-2-yl]-4-propylaniline
CID 43478896
[3-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol
CID 43715225

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline?
The IUPAC name of 3-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline (CID 43478969) is 3-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline.
What is the SMILES notation for 3-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline?
The canonical SMILES for 3-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline is COc1ccc(NC(C)CCc2ccco2)cc1F.
What is the InChIKey of 3-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline?
The InChIKey is GDHXUVJAZFAFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-11(5-7-13-4-3-9-19-13)17-12-6-8-15(18-2)14(16)10-12/h3-4,6,8-11,17H,5,7H2,1-2H3.
What are the key properties of 3-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline?
3-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline has a molecular weight of 263.31 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline is sourced from PubChem (CID 43478969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).