3-(2-amino-N-ethyl-5-fluoroanilino)propanenitrile

C11H14FN3 — CID 62377139

IUPAC3-(2-amino-N-ethyl-5-fluoroanilino)propanenitrile
SMILESCCN(CCC#N)c1cc(F)ccc1N
InChIInChI=1S/C11H14FN3/c1-2-15(7-3-6-13)11-8-9(12)4-5-10(11)14/h4-5,8H,2-3,7,14H2,1H3
InChIKeyZZMTZEGCJWIIRV-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.15
Rot. Bonds4

About 3-(2-amino-N-ethyl-5-fluoroanilino)propanenitrile

3-(2-amino-N-ethyl-5-fluoroanilino)propanenitrile (PubChem CID 62377139) has the molecular formula C11H14FN3 and a molecular weight of 207.25 g/mol. Its IUPAC name is 3-(2-amino-N-ethyl-5-fluoroanilino)propanenitrile.

Molecular Properties

Compound Name3-(2-amino-N-ethyl-5-fluoroanilino)propanenitrile
PubChem CID62377139
Molecular FormulaC11H14FN3
Molecular Weight207.25 g/mol
Exact Mass207.12
IUPAC Name3-(2-amino-N-ethyl-5-fluoroanilino)propanenitrile
SMILESCCN(CCC#N)c1cc(F)ccc1N
InChIInChI=1S/C11H14FN3/c1-2-15(7-3-6-13)11-8-9(12)4-5-10(11)14/h4-5,8H,2-3,7,14H2,1H3
InChIKeyZZMTZEGCJWIIRV-UHFFFAOYSA-N
XLogP2.15
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-N-ethyl-5-fluoroanilino)propanenitrile?
The IUPAC name of 3-(2-amino-N-ethyl-5-fluoroanilino)propanenitrile (CID 62377139) is 3-(2-amino-N-ethyl-5-fluoroanilino)propanenitrile.
What is the SMILES notation for 3-(2-amino-N-ethyl-5-fluoroanilino)propanenitrile?
The canonical SMILES for 3-(2-amino-N-ethyl-5-fluoroanilino)propanenitrile is CCN(CCC#N)c1cc(F)ccc1N.
What is the InChIKey of 3-(2-amino-N-ethyl-5-fluoroanilino)propanenitrile?
The InChIKey is ZZMTZEGCJWIIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3/c1-2-15(7-3-6-13)11-8-9(12)4-5-10(11)14/h4-5,8H,2-3,7,14H2,1H3.
What are the key properties of 3-(2-amino-N-ethyl-5-fluoroanilino)propanenitrile?
3-(2-amino-N-ethyl-5-fluoroanilino)propanenitrile has a molecular weight of 207.25 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-N-ethyl-5-fluoroanilino)propanenitrile is sourced from PubChem (CID 62377139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).