2-chloro-4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]benzonitrile

C15H15ClN2O2 — CID 133346847

IUPAC2-chloro-4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]benzonitrile
SMILESCOCC(Nc1ccc(C#N)c(Cl)c1)c1ccc(C)o1
InChIInChI=1S/C15H15ClN2O2/c1-10-3-6-15(20-10)14(9-19-2)18-12-5-4-11(8-17)13(16)7-12/h3-7,14,18H,9H2,1-2H3
InChIKeyKBTGCRHOIBIXAL-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.91
Rot. Bonds5

About 2-chloro-4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]benzonitrile

2-chloro-4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]benzonitrile (PubChem CID 133346847) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-chloro-4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]benzonitrile.

Molecular Properties

Compound Name2-chloro-4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]benzonitrile
PubChem CID133346847
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-chloro-4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]benzonitrile
SMILESCOCC(Nc1ccc(C#N)c(Cl)c1)c1ccc(C)o1
InChIInChI=1S/C15H15ClN2O2/c1-10-3-6-15(20-10)14(9-19-2)18-12-5-4-11(8-17)13(16)7-12/h3-7,14,18H,9H2,1-2H3
InChIKeyKBTGCRHOIBIXAL-UHFFFAOYSA-N
XLogP3.91
TPSA58.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-chloro-4-[1-(4-methoxyphenyl)propan-2-ylamino]benzonitrile
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4-(1-methoxypentan-2-ylamino)-2-methylbenzonitrile
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methyl (3S)-3-(3-chloro-4-cyanoanilino)-4-(2-methoxyethylamino)butanoate
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2-chloro-4-(1-methylsulfanylbutan-2-ylamino)benzonitrile
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CID 107788180
2-chloro-4-[1-(2-methoxy-4-methylphenyl)ethylamino]benzonitrile
CID 43775126
2-chloro-4-[1-(2-methoxyphenyl)propan-2-ylamino]benzonitrile
CID 43775110
N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-methyl-2-nitroaniline
CID 133346825
2-chloro-4-[[(1R)-1-cyclopropylethyl]amino]benzonitrile
CID 93300791
2-chloro-4-[1-(2-methylphenyl)ethylamino]benzonitrile
CID 43347988
2-(3-chloro-4-cyanoanilino)-N-pentan-2-ylpropanamide
CID 43348095

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]benzonitrile?
The IUPAC name of 2-chloro-4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]benzonitrile (CID 133346847) is 2-chloro-4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]benzonitrile.
What is the SMILES notation for 2-chloro-4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]benzonitrile?
The canonical SMILES for 2-chloro-4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]benzonitrile is COCC(Nc1ccc(C#N)c(Cl)c1)c1ccc(C)o1.
What is the InChIKey of 2-chloro-4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]benzonitrile?
The InChIKey is KBTGCRHOIBIXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-10-3-6-15(20-10)14(9-19-2)18-12-5-4-11(8-17)13(16)7-12/h3-7,14,18H,9H2,1-2H3.
What are the key properties of 2-chloro-4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]benzonitrile?
2-chloro-4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]benzonitrile has a molecular weight of 290.75 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]benzonitrile is sourced from PubChem (CID 133346847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).