3-fluoro-5-[1-(furan-2-yl)propylamino]-4-methylbenzonitrile

C15H15FN2O — CID 62632000

IUPAC3-fluoro-5-[1-(furan-2-yl)propylamino]-4-methylbenzonitrile
SMILESCCC(Nc1cc(C#N)cc(F)c1C)c1ccco1
InChIInChI=1S/C15H15FN2O/c1-3-13(15-5-4-6-19-15)18-14-8-11(9-17)7-12(16)10(14)2/h4-8,13,18H,3H2,1-2H3
InChIKeyBSUBNRFANRLONY-UHFFFAOYSA-N
MW258.30 g/mol
LogP4.16
Rot. Bonds4

About 3-fluoro-5-[1-(furan-2-yl)propylamino]-4-methylbenzonitrile

3-fluoro-5-[1-(furan-2-yl)propylamino]-4-methylbenzonitrile (PubChem CID 62632000) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 3-fluoro-5-[1-(furan-2-yl)propylamino]-4-methylbenzonitrile.

Molecular Properties

Compound Name3-fluoro-5-[1-(furan-2-yl)propylamino]-4-methylbenzonitrile
PubChem CID62632000
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name3-fluoro-5-[1-(furan-2-yl)propylamino]-4-methylbenzonitrile
SMILESCCC(Nc1cc(C#N)cc(F)c1C)c1ccco1
InChIInChI=1S/C15H15FN2O/c1-3-13(15-5-4-6-19-15)18-14-8-11(9-17)7-12(16)10(14)2/h4-8,13,18H,3H2,1-2H3
InChIKeyBSUBNRFANRLONY-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-5-[4-(furan-2-yl)butan-2-ylamino]-4-methylbenzonitrile
CID 43728448
4-chloro-2-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 62632711
3-fluoro-4-methyl-5-(pentan-2-ylamino)benzonitrile
CID 43728379
2-fluoro-N-[1-(furan-2-yl)propyl]-4-nitroaniline
CID 62631841
3-(2-ethylbutylamino)-5-fluoro-4-methylbenzonitrile
CID 43728330
3-fluoro-5-(1-methoxypropan-2-ylamino)-4-methylbenzonitrile
CID 62534320
5-bromo-N-[1-(furan-2-yl)propyl]-2-methylaniline
CID 62632359
3-fluoro-5-[1-(2-hydroxyphenyl)ethylamino]-4-methylbenzonitrile
CID 43728427
3-fluoro-5-[1-(3-fluorophenyl)propan-2-ylamino]-4-methylbenzonitrile
CID 114828910
3-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 62631964
3-(1-cyclopropylethylamino)-5-fluoro-4-methylbenzonitrile
CID 43728404
3-[(2-ethylphenyl)methylamino]-5-fluoro-4-methylbenzonitrile
CID 62391432

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[1-(furan-2-yl)propylamino]-4-methylbenzonitrile?
The IUPAC name of 3-fluoro-5-[1-(furan-2-yl)propylamino]-4-methylbenzonitrile (CID 62632000) is 3-fluoro-5-[1-(furan-2-yl)propylamino]-4-methylbenzonitrile.
What is the SMILES notation for 3-fluoro-5-[1-(furan-2-yl)propylamino]-4-methylbenzonitrile?
The canonical SMILES for 3-fluoro-5-[1-(furan-2-yl)propylamino]-4-methylbenzonitrile is CCC(Nc1cc(C#N)cc(F)c1C)c1ccco1.
What is the InChIKey of 3-fluoro-5-[1-(furan-2-yl)propylamino]-4-methylbenzonitrile?
The InChIKey is BSUBNRFANRLONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-3-13(15-5-4-6-19-15)18-14-8-11(9-17)7-12(16)10(14)2/h4-8,13,18H,3H2,1-2H3.
What are the key properties of 3-fluoro-5-[1-(furan-2-yl)propylamino]-4-methylbenzonitrile?
3-fluoro-5-[1-(furan-2-yl)propylamino]-4-methylbenzonitrile has a molecular weight of 258.30 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[1-(furan-2-yl)propylamino]-4-methylbenzonitrile is sourced from PubChem (CID 62632000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).