2,3-difluoro-4-[2-methoxyethyl(2-methylpropyl)amino]benzonitrile

C14H18F2N2O — CID 107933567

IUPAC2,3-difluoro-4-[2-methoxyethyl(2-methylpropyl)amino]benzonitrile
SMILESCOCCN(CC(C)C)c1ccc(C#N)c(F)c1F
InChIInChI=1S/C14H18F2N2O/c1-10(2)9-18(6-7-19-3)12-5-4-11(8-17)13(15)14(12)16/h4-5,10H,6-7,9H2,1-3H3
InChIKeyATEUJHSZDMZBKN-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.95
Rot. Bonds6

About 2,3-difluoro-4-[2-methoxyethyl(2-methylpropyl)amino]benzonitrile

2,3-difluoro-4-[2-methoxyethyl(2-methylpropyl)amino]benzonitrile (PubChem CID 107933567) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 2,3-difluoro-4-[2-methoxyethyl(2-methylpropyl)amino]benzonitrile.

Molecular Properties

Compound Name2,3-difluoro-4-[2-methoxyethyl(2-methylpropyl)amino]benzonitrile
PubChem CID107933567
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2,3-difluoro-4-[2-methoxyethyl(2-methylpropyl)amino]benzonitrile
SMILESCOCCN(CC(C)C)c1ccc(C#N)c(F)c1F
InChIInChI=1S/C14H18F2N2O/c1-10(2)9-18(6-7-19-3)12-5-4-11(8-17)13(15)14(12)16/h4-5,10H,6-7,9H2,1-3H3
InChIKeyATEUJHSZDMZBKN-UHFFFAOYSA-N
XLogP2.95
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-difluoro-4-[1-methoxypropan-2-yl(methyl)amino]benzonitrile
CID 107933486
2-bromo-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-fluorobenzonitrile
CID 107533490
4-[cyclopropyl(2-methylpropyl)amino]-2,3-difluorobenzonitrile
CID 107933598
3-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-4-carbonitrile
CID 107057272
methyl 3-(4-cyano-2,3-difluoro-N-methylanilino)-2-methylpropanoate
CID 107933615
4-(chloromethyl)-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)aniline
CID 62123152
methyl 2-(4-cyano-N-ethyl-2,3-difluoroanilino)acetate
CID 107933593
2,3-difluoro-4-(2-methoxyethoxy)benzonitrile
CID 167407689
3-chloro-4-[2-methoxyethyl(2-methylpropyl)amino]benzoic acid
CID 63088651
2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline
CID 54987089
1-[3-bromo-4-[2-methoxyethyl(2-methylpropyl)amino]phenyl]ethanol
CID 62908872
3-bromo-4-[2-methoxyethyl(2-methylpropyl)amino]benzaldehyde
CID 114062183

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-[2-methoxyethyl(2-methylpropyl)amino]benzonitrile?
The IUPAC name of 2,3-difluoro-4-[2-methoxyethyl(2-methylpropyl)amino]benzonitrile (CID 107933567) is 2,3-difluoro-4-[2-methoxyethyl(2-methylpropyl)amino]benzonitrile.
What is the SMILES notation for 2,3-difluoro-4-[2-methoxyethyl(2-methylpropyl)amino]benzonitrile?
The canonical SMILES for 2,3-difluoro-4-[2-methoxyethyl(2-methylpropyl)amino]benzonitrile is COCCN(CC(C)C)c1ccc(C#N)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-[2-methoxyethyl(2-methylpropyl)amino]benzonitrile?
The InChIKey is ATEUJHSZDMZBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-10(2)9-18(6-7-19-3)12-5-4-11(8-17)13(15)14(12)16/h4-5,10H,6-7,9H2,1-3H3.
What are the key properties of 2,3-difluoro-4-[2-methoxyethyl(2-methylpropyl)amino]benzonitrile?
2,3-difluoro-4-[2-methoxyethyl(2-methylpropyl)amino]benzonitrile has a molecular weight of 268.31 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-[2-methoxyethyl(2-methylpropyl)amino]benzonitrile is sourced from PubChem (CID 107933567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).