2-methyl-4-[2-(methylaminomethyl)phenoxy]benzonitrile

C16H16N2O — CID 106485293

IUPAC2-methyl-4-[2-(methylaminomethyl)phenoxy]benzonitrile
SMILESCNCc1ccccc1Oc1ccc(C#N)c(C)c1
InChIInChI=1S/C16H16N2O/c1-12-9-15(8-7-13(12)10-17)19-16-6-4-3-5-14(16)11-18-2/h3-9,18H,11H2,1-2H3
InChIKeyASKCSVJVXBKTHQ-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.38
Rot. Bonds4

About 2-methyl-4-[2-(methylaminomethyl)phenoxy]benzonitrile

2-methyl-4-[2-(methylaminomethyl)phenoxy]benzonitrile (PubChem CID 106485293) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-methyl-4-[2-(methylaminomethyl)phenoxy]benzonitrile.

Molecular Properties

Compound Name2-methyl-4-[2-(methylaminomethyl)phenoxy]benzonitrile
PubChem CID106485293
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name2-methyl-4-[2-(methylaminomethyl)phenoxy]benzonitrile
SMILESCNCc1ccccc1Oc1ccc(C#N)c(C)c1
InChIInChI=1S/C16H16N2O/c1-12-9-15(8-7-13(12)10-17)19-16-6-4-3-5-14(16)11-18-2/h3-9,18H,11H2,1-2H3
InChIKeyASKCSVJVXBKTHQ-UHFFFAOYSA-N
XLogP3.38
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4-[2-(methylaminomethyl)phenoxy]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-4-(2-methylsulfanylphenoxy)benzonitrile
CID 81282036
4-(3-amino-2-methylphenoxy)-2-methylbenzonitrile
CID 81279070
N-methyl-1-(2-methyl-4-naphthalen-1-yloxyphenyl)methanamine
CID 63552196
1-[2-(1,3-benzodioxol-5-yloxy)phenyl]-N-methylmethanamine
CID 43282413
N-methyl-1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]methanamine
CID 63551846
N-methyl-1-[2-(4-nitrophenoxy)phenyl]methanamine
CID 54915610
4-(4-amino-3-methylphenoxy)-2-methylbenzonitrile
CID 81279568
1-[2-(2,6-dimethylphenoxy)phenyl]-N-methylmethanamine
CID 43282630
2-[4-(methylaminomethyl)phenoxy]benzonitrile;hydrochloride
CID 46736942
2-bromo-4-(2-methylphenoxy)benzonitrile
CID 107276924
2-methyl-4-pyrimidin-2-yloxybenzonitrile
CID 70098326
1-[2-(2-ethylphenoxy)phenyl]-N-methylmethanamine
CID 43283795

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(methylaminomethyl)phenoxy]benzonitrile?
The IUPAC name of 2-methyl-4-[2-(methylaminomethyl)phenoxy]benzonitrile (CID 106485293) is 2-methyl-4-[2-(methylaminomethyl)phenoxy]benzonitrile.
What is the SMILES notation for 2-methyl-4-[2-(methylaminomethyl)phenoxy]benzonitrile?
The canonical SMILES for 2-methyl-4-[2-(methylaminomethyl)phenoxy]benzonitrile is CNCc1ccccc1Oc1ccc(C#N)c(C)c1.
What is the InChIKey of 2-methyl-4-[2-(methylaminomethyl)phenoxy]benzonitrile?
The InChIKey is ASKCSVJVXBKTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-12-9-15(8-7-13(12)10-17)19-16-6-4-3-5-14(16)11-18-2/h3-9,18H,11H2,1-2H3.
What are the key properties of 2-methyl-4-[2-(methylaminomethyl)phenoxy]benzonitrile?
2-methyl-4-[2-(methylaminomethyl)phenoxy]benzonitrile has a molecular weight of 252.32 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(methylaminomethyl)phenoxy]benzonitrile is sourced from PubChem (CID 106485293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).