2-(dimethylamino)-3-(3-ethoxy-2-hydroxyphenyl)-2-methylpropanenitrile

C14H20N2O2 — CID 84751935

IUPAC2-(dimethylamino)-3-(3-ethoxy-2-hydroxyphenyl)-2-methylpropanenitrile
SMILESCCOc1cccc(CC(C)(C#N)N(C)C)c1O
InChIInChI=1S/C14H20N2O2/c1-5-18-12-8-6-7-11(13(12)17)9-14(2,10-15)16(3)4/h6-8,17H,5,9H2,1-4H3
InChIKeyMOEXYSRWHMODBL-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.18
Rot. Bonds5

About 2-(dimethylamino)-3-(3-ethoxy-2-hydroxyphenyl)-2-methylpropanenitrile

2-(dimethylamino)-3-(3-ethoxy-2-hydroxyphenyl)-2-methylpropanenitrile (PubChem CID 84751935) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(dimethylamino)-3-(3-ethoxy-2-hydroxyphenyl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(dimethylamino)-3-(3-ethoxy-2-hydroxyphenyl)-2-methylpropanenitrile
PubChem CID84751935
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(dimethylamino)-3-(3-ethoxy-2-hydroxyphenyl)-2-methylpropanenitrile
SMILESCCOc1cccc(CC(C)(C#N)N(C)C)c1O
InChIInChI=1S/C14H20N2O2/c1-5-18-12-8-6-7-11(13(12)17)9-14(2,10-15)16(3)4/h6-8,17H,5,9H2,1-4H3
InChIKeyMOEXYSRWHMODBL-UHFFFAOYSA-N
XLogP2.18
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-ethoxy-2-hydroxyphenyl)-2-methyl-2-piperidin-1-ylpropanenitrile
CID 84750326
2-[3-amino-2-(diethylamino)-2-methylpropyl]-6-ethoxyphenol
CID 84746530
2-ethoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82976872
2-[[1-(dimethylamino)propan-2-ylamino]methyl]-6-ethoxyphenol
CID 82938957
2-ethoxy-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol
CID 82958395
2-ethoxy-6-[(3-ethylpentan-3-ylamino)methyl]phenol
CID 65039266
ethyl 2-cyano-3-(3-ethoxy-2-hydroxyphenyl)propanoate
CID 82350256
2-[[2-(dimethylamino)anilino]methyl]-6-ethoxyphenol
CID 43726584
2-[(3,3-dimethylbutylamino)methyl]-6-ethoxyphenol
CID 115603081
4-[[(3-ethoxy-2-hydroxyphenyl)methylamino]methyl]benzonitrile
CID 60918198
2-ethoxy-6-(3-sulfanylpropyl)phenol
CID 83930701
2-ethoxy-6-heptadecylphenol
CID 10499794

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-(3-ethoxy-2-hydroxyphenyl)-2-methylpropanenitrile?
The IUPAC name of 2-(dimethylamino)-3-(3-ethoxy-2-hydroxyphenyl)-2-methylpropanenitrile (CID 84751935) is 2-(dimethylamino)-3-(3-ethoxy-2-hydroxyphenyl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(dimethylamino)-3-(3-ethoxy-2-hydroxyphenyl)-2-methylpropanenitrile?
The canonical SMILES for 2-(dimethylamino)-3-(3-ethoxy-2-hydroxyphenyl)-2-methylpropanenitrile is CCOc1cccc(CC(C)(C#N)N(C)C)c1O.
What is the InChIKey of 2-(dimethylamino)-3-(3-ethoxy-2-hydroxyphenyl)-2-methylpropanenitrile?
The InChIKey is MOEXYSRWHMODBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-5-18-12-8-6-7-11(13(12)17)9-14(2,10-15)16(3)4/h6-8,17H,5,9H2,1-4H3.
What are the key properties of 2-(dimethylamino)-3-(3-ethoxy-2-hydroxyphenyl)-2-methylpropanenitrile?
2-(dimethylamino)-3-(3-ethoxy-2-hydroxyphenyl)-2-methylpropanenitrile has a molecular weight of 248.33 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-(3-ethoxy-2-hydroxyphenyl)-2-methylpropanenitrile is sourced from PubChem (CID 84751935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).