2-[(2-hydroxy-1-phenylethyl)amino]-3,3-dimethylbutanenitrile

C14H20N2O — CID 76810844

IUPAC2-[(2-hydroxy-1-phenylethyl)amino]-3,3-dimethylbutanenitrile
SMILESCC(C)(C)C(C#N)NC(CO)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-14(2,3)13(9-15)16-12(10-17)11-7-5-4-6-8-11/h4-8,12-13,16-17H,10H2,1-3H3
InChIKeyAZDUIQSBNIMMTG-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.25
Rot. Bonds4

About 2-[(2-hydroxy-1-phenylethyl)amino]-3,3-dimethylbutanenitrile

2-[(2-hydroxy-1-phenylethyl)amino]-3,3-dimethylbutanenitrile (PubChem CID 76810844) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[(2-hydroxy-1-phenylethyl)amino]-3,3-dimethylbutanenitrile.

Molecular Properties

Compound Name2-[(2-hydroxy-1-phenylethyl)amino]-3,3-dimethylbutanenitrile
PubChem CID76810844
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-[(2-hydroxy-1-phenylethyl)amino]-3,3-dimethylbutanenitrile
SMILESCC(C)(C)C(C#N)NC(CO)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-14(2,3)13(9-15)16-12(10-17)11-7-5-4-6-8-11/h4-8,12-13,16-17H,10H2,1-3H3
InChIKeyAZDUIQSBNIMMTG-UHFFFAOYSA-N
XLogP2.25
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-trifluoro-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanenitrile
CID 101415979
(2S)-3,3-dimethyl-2-[[(1R)-1-phenylethyl]amino]butanenitrile
CID 101095411
(2S)-2-[(2-methyl-1-phenylpropyl)amino]-2-phenylethanol
CID 107862261
(2R)-2-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetonitrile
CID 16663747
(2S)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-(1-methylcyclopentyl)acetonitrile
CID 102325450
(2R)-2-[[(3R)-2,2-dimethylhex-5-en-3-yl]amino]-2-phenylethanol
CID 11172674
2-[(3-methoxy-3-methylbutan-2-yl)amino]-2-phenylethanol
CID 114228231
2-(benzylamino)-3,3-dimethylbutanenitrile
CID 10679630
(2R)-2-phenyl-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethanol
CID 10946349
(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol
CID 103783978
3-methyl-2-(1-phenylpropylamino)-3-propyloctanenitrile
CID 129022754
(2R)-2-cuban-1-yl-2-[[(1S)-2-hydroxy-1-phenylethyl]amino]acetonitrile
CID 155936560

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-1-phenylethyl)amino]-3,3-dimethylbutanenitrile?
The IUPAC name of 2-[(2-hydroxy-1-phenylethyl)amino]-3,3-dimethylbutanenitrile (CID 76810844) is 2-[(2-hydroxy-1-phenylethyl)amino]-3,3-dimethylbutanenitrile.
What is the SMILES notation for 2-[(2-hydroxy-1-phenylethyl)amino]-3,3-dimethylbutanenitrile?
The canonical SMILES for 2-[(2-hydroxy-1-phenylethyl)amino]-3,3-dimethylbutanenitrile is CC(C)(C)C(C#N)NC(CO)c1ccccc1.
What is the InChIKey of 2-[(2-hydroxy-1-phenylethyl)amino]-3,3-dimethylbutanenitrile?
The InChIKey is AZDUIQSBNIMMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-14(2,3)13(9-15)16-12(10-17)11-7-5-4-6-8-11/h4-8,12-13,16-17H,10H2,1-3H3.
What are the key properties of 2-[(2-hydroxy-1-phenylethyl)amino]-3,3-dimethylbutanenitrile?
2-[(2-hydroxy-1-phenylethyl)amino]-3,3-dimethylbutanenitrile has a molecular weight of 232.33 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-1-phenylethyl)amino]-3,3-dimethylbutanenitrile is sourced from PubChem (CID 76810844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).