2-[2-(3-methoxy-N-methylanilino)ethoxy]propanenitrile

C13H18N2O2 — CID 114266184

IUPAC2-[2-(3-methoxy-N-methylanilino)ethoxy]propanenitrile
SMILESCOc1cccc(N(C)CCOC(C)C#N)c1
InChIInChI=1S/C13H18N2O2/c1-11(10-14)17-8-7-15(2)12-5-4-6-13(9-12)16-3/h4-6,9,11H,7-8H2,1-3H3
InChIKeyZAZQEUZRXSKOPG-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.06
Rot. Bonds6

About 2-[2-(3-methoxy-N-methylanilino)ethoxy]propanenitrile

2-[2-(3-methoxy-N-methylanilino)ethoxy]propanenitrile (PubChem CID 114266184) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[2-(3-methoxy-N-methylanilino)ethoxy]propanenitrile.

Molecular Properties

Compound Name2-[2-(3-methoxy-N-methylanilino)ethoxy]propanenitrile
PubChem CID114266184
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[2-(3-methoxy-N-methylanilino)ethoxy]propanenitrile
SMILESCOc1cccc(N(C)CCOC(C)C#N)c1
InChIInChI=1S/C13H18N2O2/c1-11(10-14)17-8-7-15(2)12-5-4-6-13(9-12)16-3/h4-6,9,11H,7-8H2,1-3H3
InChIKeyZAZQEUZRXSKOPG-UHFFFAOYSA-N
XLogP2.06
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methoxy-N-methylanilino)-2,2-dimethylbutanenitrile
CID 65251156
N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-methylaniline
CID 79479150
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
(2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 28772492
1-N-(3-methoxyphenyl)-1-N,2,2-trimethylbutane-1,3-diamine
CID 66454499
N-(6-chlorohexyl)-3-methoxy-N-methylaniline
CID 62227835
2-amino-2-ethyl-5-(3-methoxy-N-methylanilino)pentanenitrile
CID 106803438
3-[N-(2-cyanoethyl)-3-methoxyanilino]propanenitrile
CID 4243106
N-(2-methoxyethyl)-N'-(3-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 55087335
2-cyano-N-(3-methoxyphenyl)-N,3-dimethylbutanamide
CID 62002443
4-(3-methoxy-N-methylanilino)-2-(propan-2-ylamino)butanamide
CID 63054512
2-(dimethylamino)-3-(3-methoxyphenyl)propanenitrile
CID 82076974

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxy-N-methylanilino)ethoxy]propanenitrile?
The IUPAC name of 2-[2-(3-methoxy-N-methylanilino)ethoxy]propanenitrile (CID 114266184) is 2-[2-(3-methoxy-N-methylanilino)ethoxy]propanenitrile.
What is the SMILES notation for 2-[2-(3-methoxy-N-methylanilino)ethoxy]propanenitrile?
The canonical SMILES for 2-[2-(3-methoxy-N-methylanilino)ethoxy]propanenitrile is COc1cccc(N(C)CCOC(C)C#N)c1.
What is the InChIKey of 2-[2-(3-methoxy-N-methylanilino)ethoxy]propanenitrile?
The InChIKey is ZAZQEUZRXSKOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-11(10-14)17-8-7-15(2)12-5-4-6-13(9-12)16-3/h4-6,9,11H,7-8H2,1-3H3.
What are the key properties of 2-[2-(3-methoxy-N-methylanilino)ethoxy]propanenitrile?
2-[2-(3-methoxy-N-methylanilino)ethoxy]propanenitrile has a molecular weight of 234.30 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxy-N-methylanilino)ethoxy]propanenitrile is sourced from PubChem (CID 114266184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).