2-[cyclopropyl(2-methylpropyl)amino]-5-fluorobenzonitrile

C14H17FN2 — CID 55232315

IUPAC2-[cyclopropyl(2-methylpropyl)amino]-5-fluorobenzonitrile
SMILESCC(C)CN(c1ccc(F)cc1C#N)C1CC1
InChIInChI=1S/C14H17FN2/c1-10(2)9-17(13-4-5-13)14-6-3-12(15)7-11(14)8-16/h3,6-7,10,13H,4-5,9H2,1-2H3
InChIKeyAEUIWEZKASWKCO-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.32
Rot. Bonds4

About 2-[cyclopropyl(2-methylpropyl)amino]-5-fluorobenzonitrile

2-[cyclopropyl(2-methylpropyl)amino]-5-fluorobenzonitrile (PubChem CID 55232315) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-[cyclopropyl(2-methylpropyl)amino]-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-[cyclopropyl(2-methylpropyl)amino]-5-fluorobenzonitrile
PubChem CID55232315
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name2-[cyclopropyl(2-methylpropyl)amino]-5-fluorobenzonitrile
SMILESCC(C)CN(c1ccc(F)cc1C#N)C1CC1
InChIInChI=1S/C14H17FN2/c1-10(2)9-17(13-4-5-13)14-6-3-12(15)7-11(14)8-16/h3,6-7,10,13H,4-5,9H2,1-2H3
InChIKeyAEUIWEZKASWKCO-UHFFFAOYSA-N
XLogP3.32
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-methylpropyl)amino]-5-fluorobenzonitrile?
The IUPAC name of 2-[cyclopropyl(2-methylpropyl)amino]-5-fluorobenzonitrile (CID 55232315) is 2-[cyclopropyl(2-methylpropyl)amino]-5-fluorobenzonitrile.
What is the SMILES notation for 2-[cyclopropyl(2-methylpropyl)amino]-5-fluorobenzonitrile?
The canonical SMILES for 2-[cyclopropyl(2-methylpropyl)amino]-5-fluorobenzonitrile is CC(C)CN(c1ccc(F)cc1C#N)C1CC1.
What is the InChIKey of 2-[cyclopropyl(2-methylpropyl)amino]-5-fluorobenzonitrile?
The InChIKey is AEUIWEZKASWKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-10(2)9-17(13-4-5-13)14-6-3-12(15)7-11(14)8-16/h3,6-7,10,13H,4-5,9H2,1-2H3.
What are the key properties of 2-[cyclopropyl(2-methylpropyl)amino]-5-fluorobenzonitrile?
2-[cyclopropyl(2-methylpropyl)amino]-5-fluorobenzonitrile has a molecular weight of 232.30 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-methylpropyl)amino]-5-fluorobenzonitrile is sourced from PubChem (CID 55232315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).