2-methoxy-5-[[methyl(2-methylbutyl)amino]methyl]benzonitrile

C15H22N2O — CID 65344446

IUPAC2-methoxy-5-[[methyl(2-methylbutyl)amino]methyl]benzonitrile
SMILESCCC(C)CN(C)Cc1ccc(OC)c(C#N)c1
InChIInChI=1S/C15H22N2O/c1-5-12(2)10-17(3)11-13-6-7-15(18-4)14(8-13)9-16/h6-8,12H,5,10-11H2,1-4H3
InChIKeyMFTUBHPUUVVKNV-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.04
Rot. Bonds6

About 2-methoxy-5-[[methyl(2-methylbutyl)amino]methyl]benzonitrile

2-methoxy-5-[[methyl(2-methylbutyl)amino]methyl]benzonitrile (PubChem CID 65344446) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-methoxy-5-[[methyl(2-methylbutyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name2-methoxy-5-[[methyl(2-methylbutyl)amino]methyl]benzonitrile
PubChem CID65344446
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-methoxy-5-[[methyl(2-methylbutyl)amino]methyl]benzonitrile
SMILESCCC(C)CN(C)Cc1ccc(OC)c(C#N)c1
InChIInChI=1S/C15H22N2O/c1-5-12(2)10-17(3)11-13-6-7-15(18-4)14(8-13)9-16/h6-8,12H,5,10-11H2,1-4H3
InChIKeyMFTUBHPUUVVKNV-UHFFFAOYSA-N
XLogP3.04
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-[[methyl(2-methylbutyl)amino]methyl]benzonitrile
CID 103760781
2-methoxy-5-[[2-methylpropyl(propan-2-yl)amino]methyl]benzonitrile
CID 65343975
2-methoxy-5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]benzonitrile
CID 65344071
5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzonitrile
CID 65344253
3-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 103829256
5-[[(2-aminophenyl)methyl-methylamino]methyl]-2-methoxybenzonitrile
CID 65339662
5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxybenzonitrile
CID 65344353
5-[2-(dimethylamino)ethyl]-2-methoxybenzonitrile
CID 117292810
2-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide
CID 65344306
2-methoxy-5-(pentan-2-yloxymethyl)benzonitrile
CID 102981737
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylbutan-1-amine
CID 54971591
5-[[ethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile
CID 65344165

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[methyl(2-methylbutyl)amino]methyl]benzonitrile?
The IUPAC name of 2-methoxy-5-[[methyl(2-methylbutyl)amino]methyl]benzonitrile (CID 65344446) is 2-methoxy-5-[[methyl(2-methylbutyl)amino]methyl]benzonitrile.
What is the SMILES notation for 2-methoxy-5-[[methyl(2-methylbutyl)amino]methyl]benzonitrile?
The canonical SMILES for 2-methoxy-5-[[methyl(2-methylbutyl)amino]methyl]benzonitrile is CCC(C)CN(C)Cc1ccc(OC)c(C#N)c1.
What is the InChIKey of 2-methoxy-5-[[methyl(2-methylbutyl)amino]methyl]benzonitrile?
The InChIKey is MFTUBHPUUVVKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-5-12(2)10-17(3)11-13-6-7-15(18-4)14(8-13)9-16/h6-8,12H,5,10-11H2,1-4H3.
What are the key properties of 2-methoxy-5-[[methyl(2-methylbutyl)amino]methyl]benzonitrile?
2-methoxy-5-[[methyl(2-methylbutyl)amino]methyl]benzonitrile has a molecular weight of 246.35 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[methyl(2-methylbutyl)amino]methyl]benzonitrile is sourced from PubChem (CID 65344446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).