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

C9H9FN2O — CID 126971863

IUPAC2-amino-2-(2-fluoro-4-methoxyphenyl)acetonitrile
SMILESCOc1ccc(C(N)C#N)c(F)c1
InChIInChI=1S/C9H9FN2O/c1-13-6-2-3-7(8(10)4-6)9(12)5-11/h2-4,9H,12H2,1H3
InChIKeyXOZGPTBPDLDBMG-UHFFFAOYSA-N
MW180.18 g/mol
LogP1.36
Rot. Bonds2

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

2-amino-2-(2-fluoro-4-methoxyphenyl)acetonitrile (PubChem CID 126971863) has the molecular formula C9H9FN2O and a molecular weight of 180.18 g/mol. Its IUPAC name is 2-amino-2-(2-fluoro-4-methoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-amino-2-(2-fluoro-4-methoxyphenyl)acetonitrile
PubChem CID126971863
Molecular FormulaC9H9FN2O
Molecular Weight180.18 g/mol
Exact Mass180.07
IUPAC Name2-amino-2-(2-fluoro-4-methoxyphenyl)acetonitrile
SMILESCOc1ccc(C(N)C#N)c(F)c1
InChIInChI=1S/C9H9FN2O/c1-13-6-2-3-7(8(10)4-6)9(12)5-11/h2-4,9H,12H2,1H3
InChIKeyXOZGPTBPDLDBMG-UHFFFAOYSA-N
XLogP1.36
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-4-methoxyphenyl)prop-2-yn-1-amine
CID 81304813
3-(2-fluoro-4-methoxyphenyl)-2,3-dihydroxypropanenitrile
CID 171870108
2-amino-2-(2-fluoro-4-methylphenyl)acetonitrile
CID 130060116
(1R)-2,2-difluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 130665860
(1S)-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine
CID 171219591
2,2,2-trifluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561288
2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 55272766
bis(2-fluoro-4-methoxyphenyl)methanol
CID 102884350
(2-fluoro-4-methoxyphenyl)-phenylmethanamine
CID 43561220
(1S)-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine
CID 171219623
4-(2-fluoro-4-methoxyphenyl)pentan-2-amine
CID 83909628
(1S,2R)-1-amino-1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-2-ol
CID 171161424

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-fluoro-4-methoxyphenyl)acetonitrile?
The IUPAC name of 2-amino-2-(2-fluoro-4-methoxyphenyl)acetonitrile (CID 126971863) is 2-amino-2-(2-fluoro-4-methoxyphenyl)acetonitrile.
What is the SMILES notation for 2-amino-2-(2-fluoro-4-methoxyphenyl)acetonitrile?
The canonical SMILES for 2-amino-2-(2-fluoro-4-methoxyphenyl)acetonitrile is COc1ccc(C(N)C#N)c(F)c1.
What is the InChIKey of 2-amino-2-(2-fluoro-4-methoxyphenyl)acetonitrile?
The InChIKey is XOZGPTBPDLDBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O/c1-13-6-2-3-7(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-methoxyphenyl)acetonitrile?
2-amino-2-(2-fluoro-4-methoxyphenyl)acetonitrile has a molecular weight of 180.18 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-fluoro-4-methoxyphenyl)acetonitrile is sourced from PubChem (CID 126971863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).