(2S)-2-amino-2-(5-fluoro-2-methoxyphenyl)propanenitrile

C10H11FN2O — CID 94679966

IUPAC(2S)-2-amino-2-(5-fluoro-2-methoxyphenyl)propanenitrile
SMILESCOc1ccc(F)cc1[C@](C)(N)C#N
InChIInChI=1S/C10H11FN2O/c1-10(13,6-12)8-5-7(11)3-4-9(8)14-2/h3-5H,13H2,1-2H3/t10-/m1/s1
InChIKeyGPMQRBLUSBZARY-SNVBAGLBSA-N
MW194.21 g/mol
LogP1.53
Rot. Bonds2

About (2S)-2-amino-2-(5-fluoro-2-methoxyphenyl)propanenitrile

(2S)-2-amino-2-(5-fluoro-2-methoxyphenyl)propanenitrile (PubChem CID 94679966) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is (2S)-2-amino-2-(5-fluoro-2-methoxyphenyl)propanenitrile.

Molecular Properties

Compound Name(2S)-2-amino-2-(5-fluoro-2-methoxyphenyl)propanenitrile
PubChem CID94679966
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name(2S)-2-amino-2-(5-fluoro-2-methoxyphenyl)propanenitrile
SMILESCOc1ccc(F)cc1[C@](C)(N)C#N
InChIInChI=1S/C10H11FN2O/c1-10(13,6-12)8-5-7(11)3-4-9(8)14-2/h3-5H,13H2,1-2H3/t10-/m1/s1
InChIKeyGPMQRBLUSBZARY-SNVBAGLBSA-N
XLogP1.53
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(2-methoxy-5-methylphenyl)propanenitrile
CID 16794194
2-amino-2-(2,5-difluorophenyl)propanenitrile
CID 16785195
2-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine
CID 116855541
2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 80502577
3-cyano-3-(5-fluoro-2-methoxyphenyl)butanoic acid
CID 146308166
1-(5-fluoro-2-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine
CID 82769168
1-amino-2-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 79003647
2-(5-fluoro-2-methoxyanilino)-2-methylpropanenitrile
CID 115128962
(2S)-2-(5-fluoro-2-methoxyphenyl)butan-2-ol
CID 97294141
1-(2,4-dichloro-5-fluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 82771424
2-(1,1-difluoropropyl)-4-fluoro-1-methoxybenzene
CID 116841226
1-(3,5-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 82769159

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(5-fluoro-2-methoxyphenyl)propanenitrile?
The IUPAC name of (2S)-2-amino-2-(5-fluoro-2-methoxyphenyl)propanenitrile (CID 94679966) is (2S)-2-amino-2-(5-fluoro-2-methoxyphenyl)propanenitrile.
What is the SMILES notation for (2S)-2-amino-2-(5-fluoro-2-methoxyphenyl)propanenitrile?
The canonical SMILES for (2S)-2-amino-2-(5-fluoro-2-methoxyphenyl)propanenitrile is COc1ccc(F)cc1[C@](C)(N)C#N.
What is the InChIKey of (2S)-2-amino-2-(5-fluoro-2-methoxyphenyl)propanenitrile?
The InChIKey is GPMQRBLUSBZARY-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H11FN2O/c1-10(13,6-12)8-5-7(11)3-4-9(8)14-2/h3-5H,13H2,1-2H3/t10-/m1/s1.
What are the key properties of (2S)-2-amino-2-(5-fluoro-2-methoxyphenyl)propanenitrile?
(2S)-2-amino-2-(5-fluoro-2-methoxyphenyl)propanenitrile has a molecular weight of 194.21 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(5-fluoro-2-methoxyphenyl)propanenitrile is sourced from PubChem (CID 94679966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).