2-amino-3-(4-fluorophenyl)propanenitrile

C9H9FN2 — CID 45090820

IUPAC2-amino-3-(4-fluorophenyl)propanenitrile
SMILESN#CC(N)Cc1ccc(F)cc1
InChIInChI=1S/C9H9FN2/c10-8-3-1-7(2-4-8)5-9(12)6-11/h1-4,9H,5,12H2
InChIKeyMBIJHJYDUDWVFT-UHFFFAOYSA-N
MW164.18 g/mol
LogP1.22
Rot. Bonds2

About 2-amino-3-(4-fluorophenyl)propanenitrile

2-amino-3-(4-fluorophenyl)propanenitrile (PubChem CID 45090820) has the molecular formula C9H9FN2 and a molecular weight of 164.18 g/mol. Its IUPAC name is 2-amino-3-(4-fluorophenyl)propanenitrile.

Molecular Properties

Compound Name2-amino-3-(4-fluorophenyl)propanenitrile
PubChem CID45090820
Molecular FormulaC9H9FN2
Molecular Weight164.18 g/mol
Exact Mass164.07
IUPAC Name2-amino-3-(4-fluorophenyl)propanenitrile
SMILESN#CC(N)Cc1ccc(F)cc1
InChIInChI=1S/C9H9FN2/c10-8-3-1-7(2-4-8)5-9(12)6-11/h1-4,9H,5,12H2
InChIKeyMBIJHJYDUDWVFT-UHFFFAOYSA-N
XLogP1.22
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(4-iodophenyl)propanenitrile
CID 67269267
2-fluoro-3-(4-fluorophenyl)propanenitrile
CID 115013228
3-(4-fluorophenyl)-2-hydroxypropanenitrile
CID 45090363
[1-amino-2-(4-fluorophenyl)ethyl]boronic acid
CID 129319389
(1R)-1,2-bis(4-fluorophenyl)ethanamine
CID 42058912
(2S)-2-amino-3-[4-(4-fluorophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-8-yl]propanenitrile
CID 170282869
(2S)-2-amino-3-[4-[4-[(2R)-2-amino-2-cyanoethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]propanenitrile
CID 145148112
1-(4-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 61079242
(2S)-2-amino-3-(4-pyridin-3-ylphenyl)propanenitrile
CID 68774707
3-(4-fluorophenyl)-2-pyrrolidin-1-ylpropanenitrile
CID 82079287
3-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propanenitrile
CID 82092276
1-(4-fluorophenyl)-4-methyl-3-propan-2-ylpentan-2-amine
CID 114282016

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-fluorophenyl)propanenitrile?
The IUPAC name of 2-amino-3-(4-fluorophenyl)propanenitrile (CID 45090820) is 2-amino-3-(4-fluorophenyl)propanenitrile.
What is the SMILES notation for 2-amino-3-(4-fluorophenyl)propanenitrile?
The canonical SMILES for 2-amino-3-(4-fluorophenyl)propanenitrile is N#CC(N)Cc1ccc(F)cc1.
What is the InChIKey of 2-amino-3-(4-fluorophenyl)propanenitrile?
The InChIKey is MBIJHJYDUDWVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2/c10-8-3-1-7(2-4-8)5-9(12)6-11/h1-4,9H,5,12H2.
What are the key properties of 2-amino-3-(4-fluorophenyl)propanenitrile?
2-amino-3-(4-fluorophenyl)propanenitrile has a molecular weight of 164.18 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-fluorophenyl)propanenitrile is sourced from PubChem (CID 45090820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).