2-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)acetonitrile

C13H18N2O2 — CID 43151527

IUPAC2-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)acetonitrile
SMILESCOc1ccc(C(C#N)NC(C)C)c(OC)c1
InChIInChI=1S/C13H18N2O2/c1-9(2)15-12(8-14)11-6-5-10(16-3)7-13(11)17-4/h5-7,9,12,15H,1-4H3
InChIKeyGLCCRMFSURESEJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.27
Rot. Bonds5

About 2-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)acetonitrile

2-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)acetonitrile (PubChem CID 43151527) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)acetonitrile.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)acetonitrile
PubChem CID43151527
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)acetonitrile
SMILESCOc1ccc(C(C#N)NC(C)C)c(OC)c1
InChIInChI=1S/C13H18N2O2/c1-9(2)15-12(8-14)11-6-5-10(16-3)7-13(11)17-4/h5-7,9,12,15H,1-4H3
InChIKeyGLCCRMFSURESEJ-UHFFFAOYSA-N
XLogP2.27
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)acetonitrile
CID 54894505
2-(2,4-dimethoxyphenyl)-2-(prop-2-enylamino)acetonitrile
CID 62355470
2-(2,4-dimethoxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile
CID 112500804
1-(2,4-dimethoxyphenyl)prop-2-ynylhydrazine
CID 105315555
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
2-(2,4-dimethoxyphenyl)-3-oxobutanenitrile
CID 18406989
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
1-(2,4-dimethoxyphenyl)ethanethiol
CID 43124104
3-[1-(2,4-dimethoxyphenyl)ethylamino]propanenitrile
CID 43207694
1-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)butan-1-ol
CID 82315275
3-(2,4-dimethoxyphenyl)-3-hydroxypropanenitrile
CID 5163746
5-[cyano-(propan-2-ylamino)methyl]-2-methoxybenzonitrile
CID 65340823

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)acetonitrile?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)acetonitrile (CID 43151527) is 2-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)acetonitrile.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)acetonitrile?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)acetonitrile is COc1ccc(C(C#N)NC(C)C)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)acetonitrile?
The InChIKey is GLCCRMFSURESEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(2)15-12(8-14)11-6-5-10(16-3)7-13(11)17-4/h5-7,9,12,15H,1-4H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)acetonitrile?
2-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)acetonitrile has a molecular weight of 234.30 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)acetonitrile is sourced from PubChem (CID 43151527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).