2-amino-4-(4-methoxy-2,5-dimethylphenyl)-5-methylfuran-3-carbonitrile

C15H16N2O2 — CID 82482561

IUPAC2-amino-4-(4-methoxy-2,5-dimethylphenyl)-5-methylfuran-3-carbonitrile
SMILESCOc1cc(C)c(-c2c(C)oc(N)c2C#N)cc1C
InChIInChI=1S/C15H16N2O2/c1-8-6-13(18-4)9(2)5-11(8)14-10(3)19-15(17)12(14)7-16/h5-6H,17H2,1-4H3
InChIKeyAASDPNJQAOVXCE-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.33
Rot. Bonds2

About 2-amino-4-(4-methoxy-2,5-dimethylphenyl)-5-methylfuran-3-carbonitrile

2-amino-4-(4-methoxy-2,5-dimethylphenyl)-5-methylfuran-3-carbonitrile (PubChem CID 82482561) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-amino-4-(4-methoxy-2,5-dimethylphenyl)-5-methylfuran-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-methoxy-2,5-dimethylphenyl)-5-methylfuran-3-carbonitrile
PubChem CID82482561
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name2-amino-4-(4-methoxy-2,5-dimethylphenyl)-5-methylfuran-3-carbonitrile
SMILESCOc1cc(C)c(-c2c(C)oc(N)c2C#N)cc1C
InChIInChI=1S/C15H16N2O2/c1-8-6-13(18-4)9(2)5-11(8)14-10(3)19-15(17)12(14)7-16/h5-6H,17H2,1-4H3
InChIKeyAASDPNJQAOVXCE-UHFFFAOYSA-N
XLogP3.33
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-amino-5-methyl-4-(4-methylsulfanylphenyl)furan-3-carbonitrile
CID 82478583
ethane;1-methoxy-2,4,5-trimethylbenzene
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2-methoxy-4,6-dimethylbenzonitrile
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3-bromo-6-methoxy-2,4-dimethylbenzonitrile
CID 50883121
2-amino-5-methyl-4-[4-(2-methylpropoxy)phenyl]furan-3-carbonitrile
CID 96667603
2-(4-methoxy-2,5-dimethylphenyl)-6-methylpyrimidin-4-amine
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4-chloro-2,6-dimethoxybenzonitrile
CID 71485579
methoxy-(4-methoxy-2,5-dimethylphenyl)methanamine
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CID 11435258

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methoxy-2,5-dimethylphenyl)-5-methylfuran-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-methoxy-2,5-dimethylphenyl)-5-methylfuran-3-carbonitrile (CID 82482561) is 2-amino-4-(4-methoxy-2,5-dimethylphenyl)-5-methylfuran-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-methoxy-2,5-dimethylphenyl)-5-methylfuran-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-methoxy-2,5-dimethylphenyl)-5-methylfuran-3-carbonitrile is COc1cc(C)c(-c2c(C)oc(N)c2C#N)cc1C.
What is the InChIKey of 2-amino-4-(4-methoxy-2,5-dimethylphenyl)-5-methylfuran-3-carbonitrile?
The InChIKey is AASDPNJQAOVXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-8-6-13(18-4)9(2)5-11(8)14-10(3)19-15(17)12(14)7-16/h5-6H,17H2,1-4H3.
What are the key properties of 2-amino-4-(4-methoxy-2,5-dimethylphenyl)-5-methylfuran-3-carbonitrile?
2-amino-4-(4-methoxy-2,5-dimethylphenyl)-5-methylfuran-3-carbonitrile has a molecular weight of 256.30 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methoxy-2,5-dimethylphenyl)-5-methylfuran-3-carbonitrile is sourced from PubChem (CID 82482561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).