5-[[2-(2-methoxyethyl)anilino]methyl]furan-2-carbonitrile

C15H16N2O2 — CID 102847714

IUPAC5-[[2-(2-methoxyethyl)anilino]methyl]furan-2-carbonitrile
SMILESCOCCc1ccccc1NCc1ccc(C#N)o1
InChIInChI=1S/C15H16N2O2/c1-18-9-8-12-4-2-3-5-15(12)17-11-14-7-6-13(10-16)19-14/h2-7,17H,8-9,11H2,1H3
InChIKeyVQSBKBARUQIGPC-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.95
Rot. Bonds6

About 5-[[2-(2-methoxyethyl)anilino]methyl]furan-2-carbonitrile

5-[[2-(2-methoxyethyl)anilino]methyl]furan-2-carbonitrile (PubChem CID 102847714) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-[[2-(2-methoxyethyl)anilino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[2-(2-methoxyethyl)anilino]methyl]furan-2-carbonitrile
PubChem CID102847714
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name5-[[2-(2-methoxyethyl)anilino]methyl]furan-2-carbonitrile
SMILESCOCCc1ccccc1NCc1ccc(C#N)o1
InChIInChI=1S/C15H16N2O2/c1-18-9-8-12-4-2-3-5-15(12)17-11-14-7-6-13(10-16)19-14/h2-7,17H,8-9,11H2,1H3
InChIKeyVQSBKBARUQIGPC-UHFFFAOYSA-N
XLogP2.95
TPSA58.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[[2-(2-methoxyethyl)anilino]methyl]furan-2-yl]methanol
CID 102847721
5-[[2-(ethoxymethyl)anilino]methyl]furan-2-carbonitrile
CID 115671175
5-[(2-methoxyanilino)methyl]furan-2-carbonitrile
CID 115742740
4-[[2-(2-methoxyethyl)anilino]methyl]benzonitrile
CID 102847283
5-[(2-methoxyethylamino)methyl]furan-2-carbonitrile
CID 115651300
2-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 102847704
5-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]furan-2-carbonitrile
CID 115748697
5-[(2-bromo-3-chloroanilino)methyl]furan-2-carbonitrile
CID 103478709
5-[(5-tert-butyl-2-methoxyanilino)methyl]furan-2-carbonitrile
CID 115743415
5-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]furan-2-carbonitrile
CID 115654952
N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)aniline
CID 102847298
5-[(2-pyrazol-1-ylanilino)methyl]furan-2-carbonitrile
CID 115777643

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-methoxyethyl)anilino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[2-(2-methoxyethyl)anilino]methyl]furan-2-carbonitrile (CID 102847714) is 5-[[2-(2-methoxyethyl)anilino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[2-(2-methoxyethyl)anilino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[2-(2-methoxyethyl)anilino]methyl]furan-2-carbonitrile is COCCc1ccccc1NCc1ccc(C#N)o1.
What is the InChIKey of 5-[[2-(2-methoxyethyl)anilino]methyl]furan-2-carbonitrile?
The InChIKey is VQSBKBARUQIGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-18-9-8-12-4-2-3-5-15(12)17-11-14-7-6-13(10-16)19-14/h2-7,17H,8-9,11H2,1H3.
What are the key properties of 5-[[2-(2-methoxyethyl)anilino]methyl]furan-2-carbonitrile?
5-[[2-(2-methoxyethyl)anilino]methyl]furan-2-carbonitrile has a molecular weight of 256.31 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-methoxyethyl)anilino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 102847714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).