2-(cyclopropylamino)-4-(N-ethyl-2-fluoroanilino)butanenitrile

C15H20FN3 — CID 63030292

IUPAC2-(cyclopropylamino)-4-(N-ethyl-2-fluoroanilino)butanenitrile
SMILESCCN(CCC(C#N)NC1CC1)c1ccccc1F
InChIInChI=1S/C15H20FN3/c1-2-19(15-6-4-3-5-14(15)16)10-9-13(11-17)18-12-7-8-12/h3-6,12-13,18H,2,7-10H2,1H3
InChIKeyKJEDXIGGGKQYBV-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.69
Rot. Bonds7

About 2-(cyclopropylamino)-4-(N-ethyl-2-fluoroanilino)butanenitrile

2-(cyclopropylamino)-4-(N-ethyl-2-fluoroanilino)butanenitrile (PubChem CID 63030292) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(N-ethyl-2-fluoroanilino)butanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(N-ethyl-2-fluoroanilino)butanenitrile
PubChem CID63030292
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name2-(cyclopropylamino)-4-(N-ethyl-2-fluoroanilino)butanenitrile
SMILESCCN(CCC(C#N)NC1CC1)c1ccccc1F
InChIInChI=1S/C15H20FN3/c1-2-19(15-6-4-3-5-14(15)16)10-9-13(11-17)18-12-7-8-12/h3-6,12-13,18H,2,7-10H2,1H3
InChIKeyKJEDXIGGGKQYBV-UHFFFAOYSA-N
XLogP2.69
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(N-ethyl-2-fluoroanilino)butanenitrile?
The IUPAC name of 2-(cyclopropylamino)-4-(N-ethyl-2-fluoroanilino)butanenitrile (CID 63030292) is 2-(cyclopropylamino)-4-(N-ethyl-2-fluoroanilino)butanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-4-(N-ethyl-2-fluoroanilino)butanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-4-(N-ethyl-2-fluoroanilino)butanenitrile is CCN(CCC(C#N)NC1CC1)c1ccccc1F.
What is the InChIKey of 2-(cyclopropylamino)-4-(N-ethyl-2-fluoroanilino)butanenitrile?
The InChIKey is KJEDXIGGGKQYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-2-19(15-6-4-3-5-14(15)16)10-9-13(11-17)18-12-7-8-12/h3-6,12-13,18H,2,7-10H2,1H3.
What are the key properties of 2-(cyclopropylamino)-4-(N-ethyl-2-fluoroanilino)butanenitrile?
2-(cyclopropylamino)-4-(N-ethyl-2-fluoroanilino)butanenitrile has a molecular weight of 261.34 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(N-ethyl-2-fluoroanilino)butanenitrile is sourced from PubChem (CID 63030292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).