2-[1-hydroxypropan-2-yl(methyl)amino]benzonitrile

C11H14N2O — CID 104551916

IUPAC2-[1-hydroxypropan-2-yl(methyl)amino]benzonitrile
SMILESCC(CO)N(C)c1ccccc1C#N
InChIInChI=1S/C11H14N2O/c1-9(8-14)13(2)11-6-4-3-5-10(11)7-12/h3-6,9,14H,8H2,1-2H3
InChIKeyWNBQYIWOLUGMRO-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.38
Rot. Bonds3

About 2-[1-hydroxypropan-2-yl(methyl)amino]benzonitrile

2-[1-hydroxypropan-2-yl(methyl)amino]benzonitrile (PubChem CID 104551916) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-[1-hydroxypropan-2-yl(methyl)amino]benzonitrile.

Molecular Properties

Compound Name2-[1-hydroxypropan-2-yl(methyl)amino]benzonitrile
PubChem CID104551916
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-[1-hydroxypropan-2-yl(methyl)amino]benzonitrile
SMILESCC(CO)N(C)c1ccccc1C#N
InChIInChI=1S/C11H14N2O/c1-9(8-14)13(2)11-6-4-3-5-10(11)7-12/h3-6,9,14H,8H2,1-2H3
InChIKeyWNBQYIWOLUGMRO-UHFFFAOYSA-N
XLogP1.38
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl(methyl)amino]benzonitrile
CID 43273059
2-fluoro-6-[1-hydroxypropan-2-yl(methyl)amino]benzonitrile
CID 115765243
ethyl 2-(2-cyano-N-methylanilino)pentanoate
CID 83041345
2-(2-cyano-N-methylanilino)pentanehydrazide
CID 83046795
2-[1-cyclopropylethyl(methyl)amino]benzonitrile
CID 43420456
2-amino-3-[butan-2-yl(methyl)amino]benzonitrile
CID 104716290
2-[2-cyanopropyl(methyl)amino]benzonitrile
CID 60966613
2-[3-hydroxypropyl(propan-2-yl)amino]benzonitrile
CID 61147832
2-fluoro-4-[1-hydroxypropan-2-yl(methyl)amino]benzonitrile
CID 104551917
2-amino-3-[methyl(1-methylsulfanylpropan-2-yl)amino]benzonitrile
CID 104717028
4-amino-N-(2-cyanophenyl)-N,3-dimethylbutanamide
CID 81079299
2-[2-(dimethylamino)ethyl-methylamino]benzonitrile
CID 55247342

Frequently Asked Questions

What is the IUPAC name of 2-[1-hydroxypropan-2-yl(methyl)amino]benzonitrile?
The IUPAC name of 2-[1-hydroxypropan-2-yl(methyl)amino]benzonitrile (CID 104551916) is 2-[1-hydroxypropan-2-yl(methyl)amino]benzonitrile.
What is the SMILES notation for 2-[1-hydroxypropan-2-yl(methyl)amino]benzonitrile?
The canonical SMILES for 2-[1-hydroxypropan-2-yl(methyl)amino]benzonitrile is CC(CO)N(C)c1ccccc1C#N.
What is the InChIKey of 2-[1-hydroxypropan-2-yl(methyl)amino]benzonitrile?
The InChIKey is WNBQYIWOLUGMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-9(8-14)13(2)11-6-4-3-5-10(11)7-12/h3-6,9,14H,8H2,1-2H3.
What are the key properties of 2-[1-hydroxypropan-2-yl(methyl)amino]benzonitrile?
2-[1-hydroxypropan-2-yl(methyl)amino]benzonitrile has a molecular weight of 190.25 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-hydroxypropan-2-yl(methyl)amino]benzonitrile is sourced from PubChem (CID 104551916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).