2-[1-(furan-2-yl)propylamino]-3-methoxybenzonitrile

C15H16N2O2 — CID 107466817

IUPAC2-[1-(furan-2-yl)propylamino]-3-methoxybenzonitrile
SMILESCCC(Nc1c(C#N)cccc1OC)c1ccco1
InChIInChI=1S/C15H16N2O2/c1-3-12(13-8-5-9-19-13)17-15-11(10-16)6-4-7-14(15)18-2/h4-9,12,17H,3H2,1-2H3
InChIKeyZITQOGIUJQZLDY-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.72
Rot. Bonds5

About 2-[1-(furan-2-yl)propylamino]-3-methoxybenzonitrile

2-[1-(furan-2-yl)propylamino]-3-methoxybenzonitrile (PubChem CID 107466817) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[1-(furan-2-yl)propylamino]-3-methoxybenzonitrile.

Molecular Properties

Compound Name2-[1-(furan-2-yl)propylamino]-3-methoxybenzonitrile
PubChem CID107466817
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-[1-(furan-2-yl)propylamino]-3-methoxybenzonitrile
SMILESCCC(Nc1c(C#N)cccc1OC)c1ccco1
InChIInChI=1S/C15H16N2O2/c1-3-12(13-8-5-9-19-13)17-15-11(10-16)6-4-7-14(15)18-2/h4-9,12,17H,3H2,1-2H3
InChIKeyZITQOGIUJQZLDY-UHFFFAOYSA-N
XLogP3.72
TPSA58.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-bromophenyl)propylamino]-3-methoxybenzonitrile
CID 107466745
2-(1-ethoxypropan-2-ylamino)-3-methoxybenzonitrile
CID 107466942
2-(hexan-2-ylamino)-3-methoxybenzonitrile
CID 107466667
2-(2-hydroxybutylamino)-3-methoxybenzonitrile
CID 107467370
3-methoxy-2-[(1-methoxy-3-methylbutan-2-yl)amino]benzonitrile
CID 107466948
2-(2,2-diethoxyethylamino)-3-methoxybenzonitrile
CID 107467407
2-(1-cyclopropylbutylamino)-3-methoxybenzonitrile
CID 114275975
3-methoxy-2-(1-phenylpropan-2-ylamino)benzonitrile
CID 107466700
methyl 3-amino-2-(2-cyano-6-methoxyanilino)propanoate
CID 114242386
(2S)-2-amino-N-(2-cyano-6-methoxyphenyl)-3-methylpentanamide
CID 107467870
2-(2-cyano-6-methoxyanilino)-N-(2-methylpropyl)propanamide
CID 107467514
2-[(3-bromofuran-2-yl)methylamino]-3-methoxybenzonitrile
CID 107467156

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-yl)propylamino]-3-methoxybenzonitrile?
The IUPAC name of 2-[1-(furan-2-yl)propylamino]-3-methoxybenzonitrile (CID 107466817) is 2-[1-(furan-2-yl)propylamino]-3-methoxybenzonitrile.
What is the SMILES notation for 2-[1-(furan-2-yl)propylamino]-3-methoxybenzonitrile?
The canonical SMILES for 2-[1-(furan-2-yl)propylamino]-3-methoxybenzonitrile is CCC(Nc1c(C#N)cccc1OC)c1ccco1.
What is the InChIKey of 2-[1-(furan-2-yl)propylamino]-3-methoxybenzonitrile?
The InChIKey is ZITQOGIUJQZLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-3-12(13-8-5-9-19-13)17-15-11(10-16)6-4-7-14(15)18-2/h4-9,12,17H,3H2,1-2H3.
What are the key properties of 2-[1-(furan-2-yl)propylamino]-3-methoxybenzonitrile?
2-[1-(furan-2-yl)propylamino]-3-methoxybenzonitrile has a molecular weight of 256.31 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-yl)propylamino]-3-methoxybenzonitrile is sourced from PubChem (CID 107466817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).