2-(1-aminoethyl)-5-fluorobenzonitrile

C9H9FN2 — CID 103845918

IUPAC2-(1-aminoethyl)-5-fluorobenzonitrile
SMILESCC(N)c1ccc(F)cc1C#N
InChIInChI=1S/C9H9FN2/c1-6(12)9-3-2-8(10)4-7(9)5-11/h2-4,6H,12H2,1H3
InChIKeyJPUCQNXVSSVRPG-UHFFFAOYSA-N
MW164.18 g/mol
LogP1.72
Rot. Bonds1

About 2-(1-aminoethyl)-5-fluorobenzonitrile

2-(1-aminoethyl)-5-fluorobenzonitrile (PubChem CID 103845918) has the molecular formula C9H9FN2 and a molecular weight of 164.18 g/mol. Its IUPAC name is 2-(1-aminoethyl)-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-(1-aminoethyl)-5-fluorobenzonitrile
PubChem CID103845918
Molecular FormulaC9H9FN2
Molecular Weight164.18 g/mol
Exact Mass164.07
IUPAC Name2-(1-aminoethyl)-5-fluorobenzonitrile
SMILESCC(N)c1ccc(F)cc1C#N
InChIInChI=1S/C9H9FN2/c1-6(12)9-3-2-8(10)4-7(9)5-11/h2-4,6H,12H2,1H3
InChIKeyJPUCQNXVSSVRPG-UHFFFAOYSA-N
XLogP1.72
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S)-1-amino-2-methylpropyl]-5-fluorobenzonitrile
CID 130703506
2-(2-cyano-4-fluorophenyl)propanoic acid
CID 130135521
3-(1-aminoethyl)-5-fluoro-2-hydroxybenzonitrile
CID 130062616
1-(4-fluoro-2-methylphenyl)ethanamine
CID 62791014
2-(2-cyano-1,2-dihydroxyethyl)-5-fluorobenzonitrile
CID 171870269
2-[(1S)-1-amino-3-hydroxypropyl]-4-fluorobenzonitrile
CID 130648474
1-(2-chloro-4-fluorophenyl)ethanamine
CID 18542888
2-amino-5-fluorobenzonitrile
CID 2737704
3-[(1S)-1-aminoethyl]-2-fluorobenzonitrile;hydrochloride
CID 168966472
4-[2-(1-aminoethyl)-4-fluorophenoxy]-2-(trifluoromethyl)benzonitrile
CID 11702559
(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
CID 53484729
(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 79021753

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-5-fluorobenzonitrile?
The IUPAC name of 2-(1-aminoethyl)-5-fluorobenzonitrile (CID 103845918) is 2-(1-aminoethyl)-5-fluorobenzonitrile.
What is the SMILES notation for 2-(1-aminoethyl)-5-fluorobenzonitrile?
The canonical SMILES for 2-(1-aminoethyl)-5-fluorobenzonitrile is CC(N)c1ccc(F)cc1C#N.
What is the InChIKey of 2-(1-aminoethyl)-5-fluorobenzonitrile?
The InChIKey is JPUCQNXVSSVRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2/c1-6(12)9-3-2-8(10)4-7(9)5-11/h2-4,6H,12H2,1H3.
What are the key properties of 2-(1-aminoethyl)-5-fluorobenzonitrile?
2-(1-aminoethyl)-5-fluorobenzonitrile has a molecular weight of 164.18 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-5-fluorobenzonitrile is sourced from PubChem (CID 103845918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).