4-(3-methoxy-N-methylanilino)-2,2-dimethylbutanenitrile

C14H20N2O — CID 65251156

IUPAC4-(3-methoxy-N-methylanilino)-2,2-dimethylbutanenitrile
SMILESCOc1cccc(N(C)CCC(C)(C)C#N)c1
InChIInChI=1S/C14H20N2O/c1-14(2,11-15)8-9-16(3)12-6-5-7-13(10-12)17-4/h5-7,10H,8-9H2,1-4H3
InChIKeyVLFCLPFGYBCOBD-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.07
Rot. Bonds5

About 4-(3-methoxy-N-methylanilino)-2,2-dimethylbutanenitrile

4-(3-methoxy-N-methylanilino)-2,2-dimethylbutanenitrile (PubChem CID 65251156) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-(3-methoxy-N-methylanilino)-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-(3-methoxy-N-methylanilino)-2,2-dimethylbutanenitrile
PubChem CID65251156
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-(3-methoxy-N-methylanilino)-2,2-dimethylbutanenitrile
SMILESCOc1cccc(N(C)CCC(C)(C)C#N)c1
InChIInChI=1S/C14H20N2O/c1-14(2,11-15)8-9-16(3)12-6-5-7-13(10-12)17-4/h5-7,10H,8-9H2,1-4H3
InChIKeyVLFCLPFGYBCOBD-UHFFFAOYSA-N
XLogP3.07
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-ethyl-5-(3-methoxy-N-methylanilino)pentanenitrile
CID 106803438
4-(3-methoxy-N-methylanilino)-2-methyl-2-(methylamino)butan-1-ol
CID 64789526
2-[2-(3-methoxy-N-methylanilino)ethoxy]propanenitrile
CID 114266184
N'-(3-methoxyphenyl)-N',2,2-trimethylhexane-1,6-diamine
CID 106708049
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 62003980
6-(3-fluoro-N-methylanilino)-2,2-dimethylhexanenitrile
CID 106709977
1-amino-6-(3-methoxy-N-methylanilino)-2-methylhexan-2-ol
CID 64819164
3-methoxy-N-methyl-N-(3-piperidin-4-ylpropyl)aniline
CID 62213434
4-(3-methoxyphenyl)sulfanyl-2,2-dimethylbutanenitrile
CID 65176494
N-(6-chlorohexyl)-3-methoxy-N-methylaniline
CID 62227835
3-[N-(2-cyanoethyl)-3-methoxyanilino]propanenitrile
CID 4243106

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-N-methylanilino)-2,2-dimethylbutanenitrile?
The IUPAC name of 4-(3-methoxy-N-methylanilino)-2,2-dimethylbutanenitrile (CID 65251156) is 4-(3-methoxy-N-methylanilino)-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-(3-methoxy-N-methylanilino)-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-(3-methoxy-N-methylanilino)-2,2-dimethylbutanenitrile is COc1cccc(N(C)CCC(C)(C)C#N)c1.
What is the InChIKey of 4-(3-methoxy-N-methylanilino)-2,2-dimethylbutanenitrile?
The InChIKey is VLFCLPFGYBCOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-14(2,11-15)8-9-16(3)12-6-5-7-13(10-12)17-4/h5-7,10H,8-9H2,1-4H3.
What are the key properties of 4-(3-methoxy-N-methylanilino)-2,2-dimethylbutanenitrile?
4-(3-methoxy-N-methylanilino)-2,2-dimethylbutanenitrile has a molecular weight of 232.33 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-N-methylanilino)-2,2-dimethylbutanenitrile is sourced from PubChem (CID 65251156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).