2-(2-methoxyethylamino)-2-(4-methylphenyl)acetonitrile

C12H16N2O — CID 62542043

IUPAC2-(2-methoxyethylamino)-2-(4-methylphenyl)acetonitrile
SMILESCOCCNC(C#N)c1ccc(C)cc1
InChIInChI=1S/C12H16N2O/c1-10-3-5-11(6-4-10)12(9-13)14-7-8-15-2/h3-6,12,14H,7-8H2,1-2H3
InChIKeyGEQOXLHTSWNIEE-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.80
Rot. Bonds5

About 2-(2-methoxyethylamino)-2-(4-methylphenyl)acetonitrile

2-(2-methoxyethylamino)-2-(4-methylphenyl)acetonitrile (PubChem CID 62542043) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-2-(4-methylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-2-(4-methylphenyl)acetonitrile
PubChem CID62542043
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(2-methoxyethylamino)-2-(4-methylphenyl)acetonitrile
SMILESCOCCNC(C#N)c1ccc(C)cc1
InChIInChI=1S/C12H16N2O/c1-10-3-5-11(6-4-10)12(9-13)14-7-8-15-2/h3-6,12,14H,7-8H2,1-2H3
InChIKeyGEQOXLHTSWNIEE-UHFFFAOYSA-N
XLogP1.80
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-N-(2-methoxyethyl)-1-(4-methylphenyl)ethanamine
CID 26601188
2-(2-methoxyethylamino)-2-(2-methylquinolin-6-yl)acetonitrile
CID 105378886
2-[3-(dimethylamino)propylamino]-2-(4-methylphenyl)acetonitrile
CID 112500742
2-(4-methylphenyl)-2-(prop-2-ynylamino)acetonitrile
CID 62354695
N-[2-[[cyano-(4-methylphenyl)methyl]amino]ethyl]acetamide
CID 84816804
2-(3-ethoxy-4-hydroxyphenyl)-2-(2-methoxyethylamino)acetonitrile
CID 62541333
(2R)-2-[3-[[(S)-cyano-(4-methoxyphenyl)methyl]amino]propylamino]-2-(4-methoxyphenyl)acetonitrile
CID 92533323
2-(benzylamino)-2-(4-methylphenyl)acetonitrile
CID 15852212
2-(2-methoxyethylamino)-2-[3-(trifluoromethoxy)phenyl]acetonitrile
CID 107104728
methyl 2-(2-methoxyethylamino)-2-(4-methylphenyl)acetate
CID 55084780
2-[2-[[cyano-[4-(dimethylamino)phenyl]methyl]amino]ethylamino]-2-[4-(dimethylamino)phenyl]acetonitrile
CID 4253042
2-[2-(dimethylamino)ethylamino]-2-(4-methoxyphenyl)acetonitrile
CID 54889344

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-2-(4-methylphenyl)acetonitrile?
The IUPAC name of 2-(2-methoxyethylamino)-2-(4-methylphenyl)acetonitrile (CID 62542043) is 2-(2-methoxyethylamino)-2-(4-methylphenyl)acetonitrile.
What is the SMILES notation for 2-(2-methoxyethylamino)-2-(4-methylphenyl)acetonitrile?
The canonical SMILES for 2-(2-methoxyethylamino)-2-(4-methylphenyl)acetonitrile is COCCNC(C#N)c1ccc(C)cc1.
What is the InChIKey of 2-(2-methoxyethylamino)-2-(4-methylphenyl)acetonitrile?
The InChIKey is GEQOXLHTSWNIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-10-3-5-11(6-4-10)12(9-13)14-7-8-15-2/h3-6,12,14H,7-8H2,1-2H3.
What are the key properties of 2-(2-methoxyethylamino)-2-(4-methylphenyl)acetonitrile?
2-(2-methoxyethylamino)-2-(4-methylphenyl)acetonitrile has a molecular weight of 204.27 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-2-(4-methylphenyl)acetonitrile is sourced from PubChem (CID 62542043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).