2-[2-(dimethylamino)ethoxy]-4-methoxybenzonitrile

C12H16N2O2 — CID 22996186

IUPAC2-[2-(dimethylamino)ethoxy]-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)c(OCCN(C)C)c1
InChIInChI=1S/C12H16N2O2/c1-14(2)6-7-16-12-8-11(15-3)5-4-10(12)9-13/h4-5,8H,6-7H2,1-3H3
InChIKeyZMDZXWKDQIECCO-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.51
Rot. Bonds5

About 2-[2-(dimethylamino)ethoxy]-4-methoxybenzonitrile

2-[2-(dimethylamino)ethoxy]-4-methoxybenzonitrile (PubChem CID 22996186) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-4-methoxybenzonitrile.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-4-methoxybenzonitrile
PubChem CID22996186
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-[2-(dimethylamino)ethoxy]-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)c(OCCN(C)C)c1
InChIInChI=1S/C12H16N2O2/c1-14(2)6-7-16-12-8-11(15-3)5-4-10(12)9-13/h4-5,8H,6-7H2,1-3H3
InChIKeyZMDZXWKDQIECCO-UHFFFAOYSA-N
XLogP1.51
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-bromophenoxy)ethoxy]-4-methoxybenzonitrile
CID 20992087
4-methoxy-2-(2-phenylethoxy)benzonitrile
CID 20986806
4-methoxy-2-[2-(2-methylpropoxy)ethoxy]benzonitrile
CID 106447586
4-methoxy-2-(3-phenylpropoxy)benzonitrile
CID 22685905
4-methoxy-2-(2-thiophen-2-ylethoxy)benzonitrile
CID 81306221
2-[(E)-but-2-enoxy]-4-methoxybenzonitrile
CID 81306477
4-methoxy-2-(2-pyridin-2-ylethoxy)benzonitrile
CID 81305629
2-[2-(dimethylamino)ethoxy]-4-methoxybenzoyl chloride
CID 39260609
3-[2-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]prop-2-yn-1-ol
CID 104706556
2-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]-4-methoxybenzonitrile
CID 20991426
4-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)benzonitrile
CID 61102092
ethane;2-(3-methoxy-4-methylphenoxy)-N,N-dimethylethanamine
CID 144693051

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]-4-methoxybenzonitrile?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-4-methoxybenzonitrile (CID 22996186) is 2-[2-(dimethylamino)ethoxy]-4-methoxybenzonitrile.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-4-methoxybenzonitrile?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-4-methoxybenzonitrile is COc1ccc(C#N)c(OCCN(C)C)c1.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-4-methoxybenzonitrile?
The InChIKey is ZMDZXWKDQIECCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14(2)6-7-16-12-8-11(15-3)5-4-10(12)9-13/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethoxy]-4-methoxybenzonitrile?
2-[2-(dimethylamino)ethoxy]-4-methoxybenzonitrile has a molecular weight of 220.27 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]-4-methoxybenzonitrile is sourced from PubChem (CID 22996186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).