2-amino-2-(2-fluoro-4-methylphenyl)acetonitrile

C9H9FN2 — CID 130060116

IUPAC2-amino-2-(2-fluoro-4-methylphenyl)acetonitrile
SMILESCc1ccc(C(N)C#N)c(F)c1
InChIInChI=1S/C9H9FN2/c1-6-2-3-7(8(10)4-6)9(12)5-11/h2-4,9H,12H2,1H3
InChIKeyUSWAHMWNNBPWJD-UHFFFAOYSA-N
MW164.18 g/mol
LogP1.66
Rot. Bonds1

About 2-amino-2-(2-fluoro-4-methylphenyl)acetonitrile

2-amino-2-(2-fluoro-4-methylphenyl)acetonitrile (PubChem CID 130060116) has the molecular formula C9H9FN2 and a molecular weight of 164.18 g/mol. Its IUPAC name is 2-amino-2-(2-fluoro-4-methylphenyl)acetonitrile.

Molecular Properties

Compound Name2-amino-2-(2-fluoro-4-methylphenyl)acetonitrile
PubChem CID130060116
Molecular FormulaC9H9FN2
Molecular Weight164.18 g/mol
Exact Mass164.07
IUPAC Name2-amino-2-(2-fluoro-4-methylphenyl)acetonitrile
SMILESCc1ccc(C(N)C#N)c(F)c1
InChIInChI=1S/C9H9FN2/c1-6-2-3-7(8(10)4-6)9(12)5-11/h2-4,9H,12H2,1H3
InChIKeyUSWAHMWNNBPWJD-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-2-(2-hydroxy-4-methylphenyl)acetonitrile
CID 131172092
(2S)-2-amino-2-(2-bromo-4-methylphenyl)acetonitrile
CID 130055180
2-amino-2-(2-fluoro-4-methoxyphenyl)acetonitrile
CID 126971863
(3S)-3-amino-3-(2-fluoro-4-methylphenyl)propanenitrile;hydrochloride
CID 171259899
(1S)-2-fluoro-1-(2-fluoro-4-methylphenyl)ethanamine
CID 131226334
(1S)-1-(2-fluoro-4-methylphenyl)propane-1,3-diamine;hydrochloride
CID 171221484
(2S)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
CID 171201973
(2R)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
CID 171221518
(1S,2R)-1-amino-1-(2-fluoro-4-methylphenyl)butan-2-ol
CID 130683149
(2-fluoro-4-methylphenyl)methanediol
CID 129136979
(2R)-2-amino-2-(5-chloro-2-fluorophenyl)acetonitrile
CID 130634473
(2S)-2-amino-2-(2,5-difluorophenyl)acetonitrile
CID 51887355

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-fluoro-4-methylphenyl)acetonitrile?
The IUPAC name of 2-amino-2-(2-fluoro-4-methylphenyl)acetonitrile (CID 130060116) is 2-amino-2-(2-fluoro-4-methylphenyl)acetonitrile.
What is the SMILES notation for 2-amino-2-(2-fluoro-4-methylphenyl)acetonitrile?
The canonical SMILES for 2-amino-2-(2-fluoro-4-methylphenyl)acetonitrile is Cc1ccc(C(N)C#N)c(F)c1.
What is the InChIKey of 2-amino-2-(2-fluoro-4-methylphenyl)acetonitrile?
The InChIKey is USWAHMWNNBPWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2/c1-6-2-3-7(8(10)4-6)9(12)5-11/h2-4,9H,12H2,1H3.
What are the key properties of 2-amino-2-(2-fluoro-4-methylphenyl)acetonitrile?
2-amino-2-(2-fluoro-4-methylphenyl)acetonitrile has a molecular weight of 164.18 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-fluoro-4-methylphenyl)acetonitrile is sourced from PubChem (CID 130060116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).