3-[(2-methoxy-2-methylpropyl)amino]-2-phenylpropanenitrile

C14H20N2O — CID 113450152

IUPAC3-[(2-methoxy-2-methylpropyl)amino]-2-phenylpropanenitrile
SMILESCOC(C)(C)CNCC(C#N)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-14(2,17-3)11-16-10-13(9-15)12-7-5-4-6-8-12/h4-8,13,16H,10-11H2,1-3H3
InChIKeyPSWTXFYMOGARCG-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.31
Rot. Bonds6

About 3-[(2-methoxy-2-methylpropyl)amino]-2-phenylpropanenitrile

3-[(2-methoxy-2-methylpropyl)amino]-2-phenylpropanenitrile (PubChem CID 113450152) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-[(2-methoxy-2-methylpropyl)amino]-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-[(2-methoxy-2-methylpropyl)amino]-2-phenylpropanenitrile
PubChem CID113450152
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-[(2-methoxy-2-methylpropyl)amino]-2-phenylpropanenitrile
SMILESCOC(C)(C)CNCC(C#N)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-14(2,17-3)11-16-10-13(9-15)12-7-5-4-6-8-12/h4-8,13,16H,10-11H2,1-3H3
InChIKeyPSWTXFYMOGARCG-UHFFFAOYSA-N
XLogP2.31
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(tert-butylamino)-2-phenylpropanenitrile
CID 64536204
3-[[2-(methoxymethyl)phenyl]methylamino]-2-phenylpropanenitrile
CID 64536413
3-(3-methylbutylamino)-2-phenylpropanenitrile
CID 64533176
3-[(6-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile
CID 64536838
3-[[1-(dimethylamino)cyclobutyl]methylamino]-2-phenylpropanenitrile
CID 105416496
3-[(3-hydroxy-4-methoxybutyl)amino]-2-phenylpropanenitrile
CID 106246789
3-(cyclobutylmethylamino)-2-phenylpropanenitrile
CID 64538638
ethane;2-phenylbutanenitrile
CID 91343198
3-(3,4-dimethoxyanilino)-2-phenylpropanenitrile
CID 64533171
3-[2-[di(propan-2-yl)amino]ethylamino]-2-phenylpropanenitrile
CID 64535404
3-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylpropanenitrile
CID 64538441
3-(2-methylsulfanylanilino)-2-phenylpropanenitrile
CID 107644775

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-2-methylpropyl)amino]-2-phenylpropanenitrile?
The IUPAC name of 3-[(2-methoxy-2-methylpropyl)amino]-2-phenylpropanenitrile (CID 113450152) is 3-[(2-methoxy-2-methylpropyl)amino]-2-phenylpropanenitrile.
What is the SMILES notation for 3-[(2-methoxy-2-methylpropyl)amino]-2-phenylpropanenitrile?
The canonical SMILES for 3-[(2-methoxy-2-methylpropyl)amino]-2-phenylpropanenitrile is COC(C)(C)CNCC(C#N)c1ccccc1.
What is the InChIKey of 3-[(2-methoxy-2-methylpropyl)amino]-2-phenylpropanenitrile?
The InChIKey is PSWTXFYMOGARCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-14(2,17-3)11-16-10-13(9-15)12-7-5-4-6-8-12/h4-8,13,16H,10-11H2,1-3H3.
What are the key properties of 3-[(2-methoxy-2-methylpropyl)amino]-2-phenylpropanenitrile?
3-[(2-methoxy-2-methylpropyl)amino]-2-phenylpropanenitrile has a molecular weight of 232.33 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-2-methylpropyl)amino]-2-phenylpropanenitrile is sourced from PubChem (CID 113450152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).