4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]aniline

C17H23FN2O — CID 62435869

IUPAC4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]aniline
SMILESCC(C)CNCc1ccoc1CN(C)c1ccc(F)cc1
InChIInChI=1S/C17H23FN2O/c1-13(2)10-19-11-14-8-9-21-17(14)12-20(3)16-6-4-15(18)5-7-16/h4-9,13,19H,10-12H2,1-3H3
InChIKeyXNEGCNAXFZAWTH-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.80
Rot. Bonds7

About 4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]aniline

4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]aniline (PubChem CID 62435869) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]aniline
PubChem CID62435869
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]aniline
SMILESCC(C)CNCc1ccoc1CN(C)c1ccc(F)cc1
InChIInChI=1S/C17H23FN2O/c1-13(2)10-19-11-14-8-9-21-17(14)12-20(3)16-6-4-15(18)5-7-16/h4-9,13,19H,10-12H2,1-3H3
InChIKeyXNEGCNAXFZAWTH-UHFFFAOYSA-N
XLogP3.80
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]aniline?
The IUPAC name of 4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]aniline (CID 62435869) is 4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]aniline.
What is the SMILES notation for 4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]aniline?
The canonical SMILES for 4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]aniline is CC(C)CNCc1ccoc1CN(C)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]aniline?
The InChIKey is XNEGCNAXFZAWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-13(2)10-19-11-14-8-9-21-17(14)12-20(3)16-6-4-15(18)5-7-16/h4-9,13,19H,10-12H2,1-3H3.
What are the key properties of 4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]aniline?
4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]aniline has a molecular weight of 290.38 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]aniline is sourced from PubChem (CID 62435869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).