2-(2,4-dimethoxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile

C14H20N2O3 — CID 112500804

IUPAC2-(2,4-dimethoxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile
SMILESCOc1ccc(C(C#N)NC(C)(C)CO)c(OC)c1
InChIInChI=1S/C14H20N2O3/c1-14(2,9-17)16-12(8-15)11-6-5-10(18-3)7-13(11)19-4/h5-7,12,16-17H,9H2,1-4H3
InChIKeyGXSHMXHRCUNVKU-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.63
Rot. Bonds6

About 2-(2,4-dimethoxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile

2-(2,4-dimethoxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile (PubChem CID 112500804) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile
PubChem CID112500804
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(2,4-dimethoxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile
SMILESCOc1ccc(C(C#N)NC(C)(C)CO)c(OC)c1
InChIInChI=1S/C14H20N2O3/c1-14(2,9-17)16-12(8-15)11-6-5-10(18-3)7-13(11)19-4/h5-7,12,16-17H,9H2,1-4H3
InChIKeyGXSHMXHRCUNVKU-UHFFFAOYSA-N
XLogP1.63
TPSA74.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2,4-dimethoxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)acetonitrile
CID 43151527
2-(2,4-dimethoxyphenyl)-2-(prop-2-enylamino)acetonitrile
CID 62355470
2-(cyclopentylamino)-2-(2,4-dimethoxyphenyl)acetonitrile
CID 54894505
2-[[1-(2,5-dimethoxyphenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol
CID 69119374
3-(2,4-dimethoxyphenyl)-3-hydroxy-2,2-dimethylpropanenitrile
CID 79137198
3-(2,4-dimethoxyphenyl)-3-hydroxypropanenitrile
CID 5163746
3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropane-1,2-diol
CID 66169659
2-(2,4-dimethoxyphenyl)-3-oxobutanenitrile
CID 18406989
N-[(R)-cyano-(2,4-dimethoxyphenyl)methyl]-1-benzofuran-3-carboxamide
CID 97213478
1-(2,4-dimethoxyphenyl)prop-2-ynylhydrazine
CID 105315555
2-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-2-methylbutan-1-ol
CID 81412732
2-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropanamide
CID 61218248

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile (CID 112500804) is 2-(2,4-dimethoxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile is COc1ccc(C(C#N)NC(C)(C)CO)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile?
The InChIKey is GXSHMXHRCUNVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,9-17)16-12(8-15)11-6-5-10(18-3)7-13(11)19-4/h5-7,12,16-17H,9H2,1-4H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile?
2-(2,4-dimethoxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile has a molecular weight of 264.32 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile is sourced from PubChem (CID 112500804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).