2-[cyclopropyl(2-methoxyethyl)amino]-6-fluorobenzonitrile

C13H15FN2O — CID 78958832

IUPAC2-[cyclopropyl(2-methoxyethyl)amino]-6-fluorobenzonitrile
SMILESCOCCN(c1cccc(F)c1C#N)C1CC1
InChIInChI=1S/C13H15FN2O/c1-17-8-7-16(10-5-6-10)13-4-2-3-12(14)11(13)9-15/h2-4,10H,5-8H2,1H3
InChIKeyUWKPIOIIMAAKBZ-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.31
Rot. Bonds5

About 2-[cyclopropyl(2-methoxyethyl)amino]-6-fluorobenzonitrile

2-[cyclopropyl(2-methoxyethyl)amino]-6-fluorobenzonitrile (PubChem CID 78958832) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 2-[cyclopropyl(2-methoxyethyl)amino]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[cyclopropyl(2-methoxyethyl)amino]-6-fluorobenzonitrile
PubChem CID78958832
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name2-[cyclopropyl(2-methoxyethyl)amino]-6-fluorobenzonitrile
SMILESCOCCN(c1cccc(F)c1C#N)C1CC1
InChIInChI=1S/C13H15FN2O/c1-17-8-7-16(10-5-6-10)13-4-2-3-12(14)11(13)9-15/h2-4,10H,5-8H2,1H3
InChIKeyUWKPIOIIMAAKBZ-UHFFFAOYSA-N
XLogP2.31
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-methoxyethyl)amino]-6-fluorobenzonitrile?
The IUPAC name of 2-[cyclopropyl(2-methoxyethyl)amino]-6-fluorobenzonitrile (CID 78958832) is 2-[cyclopropyl(2-methoxyethyl)amino]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[cyclopropyl(2-methoxyethyl)amino]-6-fluorobenzonitrile?
The canonical SMILES for 2-[cyclopropyl(2-methoxyethyl)amino]-6-fluorobenzonitrile is COCCN(c1cccc(F)c1C#N)C1CC1.
What is the InChIKey of 2-[cyclopropyl(2-methoxyethyl)amino]-6-fluorobenzonitrile?
The InChIKey is UWKPIOIIMAAKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-17-8-7-16(10-5-6-10)13-4-2-3-12(14)11(13)9-15/h2-4,10H,5-8H2,1H3.
What are the key properties of 2-[cyclopropyl(2-methoxyethyl)amino]-6-fluorobenzonitrile?
2-[cyclopropyl(2-methoxyethyl)amino]-6-fluorobenzonitrile has a molecular weight of 234.27 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-methoxyethyl)amino]-6-fluorobenzonitrile is sourced from PubChem (CID 78958832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).