2-[2-(dimethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile

C13H19N3O — CID 54889204

IUPAC2-[2-(dimethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile
SMILESCOc1ccccc1C(C#N)NCCN(C)C
InChIInChI=1S/C13H19N3O/c1-16(2)9-8-15-12(10-14)11-6-4-5-7-13(11)17-3/h4-7,12,15H,8-9H2,1-3H3
InChIKeyOTGXMKVKVFEBMP-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.41
Rot. Bonds6

About 2-[2-(dimethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile

2-[2-(dimethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile (PubChem CID 54889204) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile
PubChem CID54889204
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-[2-(dimethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile
SMILESCOc1ccccc1C(C#N)NCCN(C)C
InChIInChI=1S/C13H19N3O/c1-16(2)9-8-15-12(10-14)11-6-4-5-7-13(11)17-3/h4-7,12,15H,8-9H2,1-3H3
InChIKeyOTGXMKVKVFEBMP-UHFFFAOYSA-N
XLogP1.41
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(diethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile
CID 54889441
2-[cyano-[2-(dimethylamino)ethylamino]methyl]benzonitrile
CID 114017997
2-[2-(dimethylamino)ethylamino]-2-(4-methoxyphenyl)acetonitrile
CID 54889344
N-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 65385216
2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile
CID 54889435
2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetonitrile
CID 61346756
N-[cyano-(2-methoxyphenyl)methyl]propanamide
CID 56687193
2-(2-ethoxyphenyl)-2-(3-hydroxypropylamino)acetonitrile
CID 62586976
2-[3-(dimethylamino)propylamino]-2-(1H-indol-3-yl)acetonitrile
CID 84817313
N-[cyano-(2-methoxyphenyl)methyl]propane-1-sulfonamide
CID 112511056
2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetonitrile
CID 54889234
2-(2,3-dimethoxyphenyl)-2-(2-methylpropylamino)acetonitrile
CID 54887599

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile (CID 54889204) is 2-[2-(dimethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile is COc1ccccc1C(C#N)NCCN(C)C.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile?
The InChIKey is OTGXMKVKVFEBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-16(2)9-8-15-12(10-14)11-6-4-5-7-13(11)17-3/h4-7,12,15H,8-9H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile?
2-[2-(dimethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile has a molecular weight of 233.31 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile is sourced from PubChem (CID 54889204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).