2-amino-2-(2,4,6-trimethoxyphenyl)acetonitrile

C11H14N2O3 — CID 43344273

IUPAC2-amino-2-(2,4,6-trimethoxyphenyl)acetonitrile
SMILESCOc1cc(OC)c(C(N)C#N)c(OC)c1
InChIInChI=1S/C11H14N2O3/c1-14-7-4-9(15-2)11(8(13)6-12)10(5-7)16-3/h4-5,8H,13H2,1-3H3
InChIKeyCQDQKFFDMVLFPF-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.24
Rot. Bonds4

About 2-amino-2-(2,4,6-trimethoxyphenyl)acetonitrile

2-amino-2-(2,4,6-trimethoxyphenyl)acetonitrile (PubChem CID 43344273) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-amino-2-(2,4,6-trimethoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-amino-2-(2,4,6-trimethoxyphenyl)acetonitrile
PubChem CID43344273
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-amino-2-(2,4,6-trimethoxyphenyl)acetonitrile
SMILESCOc1cc(OC)c(C(N)C#N)c(OC)c1
InChIInChI=1S/C11H14N2O3/c1-14-7-4-9(15-2)11(8(13)6-12)10(5-7)16-3/h4-5,8H,13H2,1-3H3
InChIKeyCQDQKFFDMVLFPF-UHFFFAOYSA-N
XLogP1.24
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

hydrazinyl-(2,4,6-trimethoxyphenyl)methanamine
CID 116947477
2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetonitrile
CID 116851070
(1S)-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201024
(1R)-1-(2-bromo-4,6-dimethoxyphenyl)ethanamine
CID 82759020
(2R)-2-amino-2-(3,4,5-trimethoxyphenyl)acetonitrile
CID 28701279
(1R)-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171201026
methyl 2-amino-2-(2,4,6-trimethoxyphenyl)acetate
CID 14604184
(1R)-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine;hydrochloride
CID 171239954
2-(2,4-dimethoxy-6-methylphenyl)-3-oxobutanenitrile
CID 42638797
3-(dimethylamino)-3-(2,4,6-trimethoxyphenyl)propanenitrile
CID 116909948
2-amino-2-(3-methoxyphenyl)acetonitrile
CID 13352448
2-methyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine
CID 116933123

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2,4,6-trimethoxyphenyl)acetonitrile?
The IUPAC name of 2-amino-2-(2,4,6-trimethoxyphenyl)acetonitrile (CID 43344273) is 2-amino-2-(2,4,6-trimethoxyphenyl)acetonitrile.
What is the SMILES notation for 2-amino-2-(2,4,6-trimethoxyphenyl)acetonitrile?
The canonical SMILES for 2-amino-2-(2,4,6-trimethoxyphenyl)acetonitrile is COc1cc(OC)c(C(N)C#N)c(OC)c1.
What is the InChIKey of 2-amino-2-(2,4,6-trimethoxyphenyl)acetonitrile?
The InChIKey is CQDQKFFDMVLFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-14-7-4-9(15-2)11(8(13)6-12)10(5-7)16-3/h4-5,8H,13H2,1-3H3.
What are the key properties of 2-amino-2-(2,4,6-trimethoxyphenyl)acetonitrile?
2-amino-2-(2,4,6-trimethoxyphenyl)acetonitrile has a molecular weight of 222.24 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2,4,6-trimethoxyphenyl)acetonitrile is sourced from PubChem (CID 43344273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).