(2R)-2-amino-2-(3,4,5-trimethoxyphenyl)acetonitrile

C11H14N2O3 — CID 28701279

IUPAC(2R)-2-amino-2-(3,4,5-trimethoxyphenyl)acetonitrile
SMILESCOc1cc([C@@H](N)C#N)cc(OC)c1OC
InChIInChI=1S/C11H14N2O3/c1-14-9-4-7(8(13)6-12)5-10(15-2)11(9)16-3/h4-5,8H,13H2,1-3H3/t8-/m0/s1
InChIKeySDTKGRUQFNKXAO-QMMMGPOBSA-N
MW222.24 g/mol
LogP1.24
Rot. Bonds4

About (2R)-2-amino-2-(3,4,5-trimethoxyphenyl)acetonitrile

(2R)-2-amino-2-(3,4,5-trimethoxyphenyl)acetonitrile (PubChem CID 28701279) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (2R)-2-amino-2-(3,4,5-trimethoxyphenyl)acetonitrile.

Molecular Properties

Compound Name(2R)-2-amino-2-(3,4,5-trimethoxyphenyl)acetonitrile
PubChem CID28701279
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(2R)-2-amino-2-(3,4,5-trimethoxyphenyl)acetonitrile
SMILESCOc1cc([C@@H](N)C#N)cc(OC)c1OC
InChIInChI=1S/C11H14N2O3/c1-14-9-4-7(8(13)6-12)5-10(15-2)11(9)16-3/h4-5,8H,13H2,1-3H3/t8-/m0/s1
InChIKeySDTKGRUQFNKXAO-QMMMGPOBSA-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

(3S)-3-amino-3-(3,4,5-trimethoxyphenyl)propanenitrile
CID 95452478
(2R)-2-amino-2-(4-fluoro-3-methoxyphenyl)acetonitrile
CID 130723637
(3S)-3-amino-3-(3,4,5-trimethoxyphenyl)propanenitrile;hydrochloride
CID 171259839
2-(ethylamino)-2-(3,4,5-trimethoxyphenyl)acetonitrile
CID 43115147
2-amino-1-(3,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 75069436
(1R)-2-fluoro-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 28820340
2-amino-2-(2,4,6-trimethoxyphenyl)acetonitrile
CID 43344273
2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetonitrile
CID 116851070
(1S)-2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 66512237
(1S)-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171199595
1-(3-ethoxy-4,5-dimethoxyphenyl)ethanamine
CID 175788959
2-amino-2-(3,4,5-trimethoxyphenyl)acetic acid
CID 5100265

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3,4,5-trimethoxyphenyl)acetonitrile?
The IUPAC name of (2R)-2-amino-2-(3,4,5-trimethoxyphenyl)acetonitrile (CID 28701279) is (2R)-2-amino-2-(3,4,5-trimethoxyphenyl)acetonitrile.
What is the SMILES notation for (2R)-2-amino-2-(3,4,5-trimethoxyphenyl)acetonitrile?
The canonical SMILES for (2R)-2-amino-2-(3,4,5-trimethoxyphenyl)acetonitrile is COc1cc([C@@H](N)C#N)cc(OC)c1OC.
What is the InChIKey of (2R)-2-amino-2-(3,4,5-trimethoxyphenyl)acetonitrile?
The InChIKey is SDTKGRUQFNKXAO-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-14-9-4-7(8(13)6-12)5-10(15-2)11(9)16-3/h4-5,8H,13H2,1-3H3/t8-/m0/s1.
What are the key properties of (2R)-2-amino-2-(3,4,5-trimethoxyphenyl)acetonitrile?
(2R)-2-amino-2-(3,4,5-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 (2R)-2-amino-2-(3,4,5-trimethoxyphenyl)acetonitrile is sourced from PubChem (CID 28701279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).