4-(2-methoxy-N,4,6-trimethylanilino)butanenitrile

C14H20N2O — CID 115231605

IUPAC4-(2-methoxy-N,4,6-trimethylanilino)butanenitrile
SMILESCOc1cc(C)cc(C)c1N(C)CCCC#N
InChIInChI=1S/C14H20N2O/c1-11-9-12(2)14(13(10-11)17-4)16(3)8-6-5-7-15/h9-10H,5-6,8H2,1-4H3
InChIKeyGMXYAAMDEXMGEJ-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.05
Rot. Bonds5

About 4-(2-methoxy-N,4,6-trimethylanilino)butanenitrile

4-(2-methoxy-N,4,6-trimethylanilino)butanenitrile (PubChem CID 115231605) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-(2-methoxy-N,4,6-trimethylanilino)butanenitrile.

Molecular Properties

Compound Name4-(2-methoxy-N,4,6-trimethylanilino)butanenitrile
PubChem CID115231605
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-(2-methoxy-N,4,6-trimethylanilino)butanenitrile
SMILESCOc1cc(C)cc(C)c1N(C)CCCC#N
InChIInChI=1S/C14H20N2O/c1-11-9-12(2)14(13(10-11)17-4)16(3)8-6-5-7-15/h9-10H,5-6,8H2,1-4H3
InChIKeyGMXYAAMDEXMGEJ-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxy-N,4,6-trimethylanilino)propane-1-thiol
CID 115224772
4-[(2-methoxy-4,6-dimethylphenyl)methyl-methylamino]butanenitrile
CID 115231844
2-[(2-methoxy-N,4,6-trimethylanilino)methyl]-3-methylbutanenitrile
CID 115254389
1-N-(2-methoxy-4,6-dimethylphenyl)-1-N-methylbutane-1,3-diamine
CID 115199192
N-(bromomethyl)-2-methoxy-N,4,6-trimethylaniline
CID 115261763
2-(2-methoxy-N,4,6-trimethylanilino)propanenitrile
CID 115130049
4-[(2-methoxy-4,5-dimethylphenyl)methyl-methylamino]butanenitrile
CID 115231797
4-[(2-methoxy-3,5-dimethylphenyl)methyl-methylamino]butanenitrile
CID 115231823
3-(2-methoxy-N,3,5-trimethylanilino)propanenitrile
CID 115230771
4-[(5-chloro-4-methoxy-2-methylphenyl)methyl-methylamino]butanenitrile
CID 115231812
4-[2-(4-methoxy-3,5-dimethylphenyl)ethyl-methylamino]butanenitrile
CID 115232083
(2-methoxy-4,6-dimethylphenyl)methyl-methylcyanamide
CID 117043386

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-N,4,6-trimethylanilino)butanenitrile?
The IUPAC name of 4-(2-methoxy-N,4,6-trimethylanilino)butanenitrile (CID 115231605) is 4-(2-methoxy-N,4,6-trimethylanilino)butanenitrile.
What is the SMILES notation for 4-(2-methoxy-N,4,6-trimethylanilino)butanenitrile?
The canonical SMILES for 4-(2-methoxy-N,4,6-trimethylanilino)butanenitrile is COc1cc(C)cc(C)c1N(C)CCCC#N.
What is the InChIKey of 4-(2-methoxy-N,4,6-trimethylanilino)butanenitrile?
The InChIKey is GMXYAAMDEXMGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-9-12(2)14(13(10-11)17-4)16(3)8-6-5-7-15/h9-10H,5-6,8H2,1-4H3.
What are the key properties of 4-(2-methoxy-N,4,6-trimethylanilino)butanenitrile?
4-(2-methoxy-N,4,6-trimethylanilino)butanenitrile has a molecular weight of 232.33 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-N,4,6-trimethylanilino)butanenitrile is sourced from PubChem (CID 115231605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).