3-fluoro-5-[2-[(propan-2-ylamino)methyl]furan-3-yl]benzonitrile

C15H15FN2O — CID 106887474

IUPAC3-fluoro-5-[2-[(propan-2-ylamino)methyl]furan-3-yl]benzonitrile
SMILESCC(C)NCc1occc1-c1cc(F)cc(C#N)c1
InChIInChI=1S/C15H15FN2O/c1-10(2)18-9-15-14(3-4-19-15)12-5-11(8-17)6-13(16)7-12/h3-7,10,18H,9H2,1-2H3
InChIKeySFRWYVHKXWLBQA-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.46
Rot. Bonds4

About 3-fluoro-5-[2-[(propan-2-ylamino)methyl]furan-3-yl]benzonitrile

3-fluoro-5-[2-[(propan-2-ylamino)methyl]furan-3-yl]benzonitrile (PubChem CID 106887474) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 3-fluoro-5-[2-[(propan-2-ylamino)methyl]furan-3-yl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-5-[2-[(propan-2-ylamino)methyl]furan-3-yl]benzonitrile
PubChem CID106887474
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name3-fluoro-5-[2-[(propan-2-ylamino)methyl]furan-3-yl]benzonitrile
SMILESCC(C)NCc1occc1-c1cc(F)cc(C#N)c1
InChIInChI=1S/C15H15FN2O/c1-10(2)18-9-15-14(3-4-19-15)12-5-11(8-17)6-13(16)7-12/h3-7,10,18H,9H2,1-2H3
InChIKeySFRWYVHKXWLBQA-UHFFFAOYSA-N
XLogP3.46
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-5-[2-[(propan-2-ylamino)methyl]phenyl]benzonitrile
CID 66423885
2-[(propan-2-ylamino)methyl]furan-3-carbonitrile
CID 106887928
N-[[3-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 107289722
N-[[3-(2-fluorophenyl)furan-2-yl]methyl]propan-2-amine
CID 106887009
N-[(3-pyrimidin-5-ylfuran-2-yl)methyl]propan-2-amine
CID 106887002
N-[[3-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 106887042
3-fluoro-5-[2-[1-(propylamino)ethyl]phenyl]benzonitrile
CID 66423884
N,N-dimethyl-4-[2-[(propan-2-ylamino)methyl]furan-3-yl]aniline
CID 106886715
N-[[3-(3-nitrophenyl)furan-2-yl]methyl]propan-2-amine
CID 106886933
N-[[3-(3-fluoro-4-pyridinyl)furan-2-yl]methyl]propan-2-amine
CID 106887993
3-[4-chloro-2-(methylaminomethyl)phenyl]-5-fluorobenzonitrile
CID 66424283
N-[[3-(2-fluoro-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine
CID 106887918

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[2-[(propan-2-ylamino)methyl]furan-3-yl]benzonitrile?
The IUPAC name of 3-fluoro-5-[2-[(propan-2-ylamino)methyl]furan-3-yl]benzonitrile (CID 106887474) is 3-fluoro-5-[2-[(propan-2-ylamino)methyl]furan-3-yl]benzonitrile.
What is the SMILES notation for 3-fluoro-5-[2-[(propan-2-ylamino)methyl]furan-3-yl]benzonitrile?
The canonical SMILES for 3-fluoro-5-[2-[(propan-2-ylamino)methyl]furan-3-yl]benzonitrile is CC(C)NCc1occc1-c1cc(F)cc(C#N)c1.
What is the InChIKey of 3-fluoro-5-[2-[(propan-2-ylamino)methyl]furan-3-yl]benzonitrile?
The InChIKey is SFRWYVHKXWLBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-10(2)18-9-15-14(3-4-19-15)12-5-11(8-17)6-13(16)7-12/h3-7,10,18H,9H2,1-2H3.
What are the key properties of 3-fluoro-5-[2-[(propan-2-ylamino)methyl]furan-3-yl]benzonitrile?
3-fluoro-5-[2-[(propan-2-ylamino)methyl]furan-3-yl]benzonitrile has a molecular weight of 258.30 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[2-[(propan-2-ylamino)methyl]furan-3-yl]benzonitrile is sourced from PubChem (CID 106887474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).