4-[[2-(ethoxymethyl)phenyl]methylamino]-2-methylbenzonitrile

C18H20N2O — CID 81269742

IUPAC4-[[2-(ethoxymethyl)phenyl]methylamino]-2-methylbenzonitrile
SMILESCCOCc1ccccc1CNc1ccc(C#N)c(C)c1
InChIInChI=1S/C18H20N2O/c1-3-21-13-17-7-5-4-6-16(17)12-20-18-9-8-15(11-19)14(2)10-18/h4-10,20H,3,12-13H2,1-2H3
InChIKeyMYFFIWSYTPCCCD-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.02
Rot. Bonds6

About 4-[[2-(ethoxymethyl)phenyl]methylamino]-2-methylbenzonitrile

4-[[2-(ethoxymethyl)phenyl]methylamino]-2-methylbenzonitrile (PubChem CID 81269742) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-[[2-(ethoxymethyl)phenyl]methylamino]-2-methylbenzonitrile.

Molecular Properties

Compound Name4-[[2-(ethoxymethyl)phenyl]methylamino]-2-methylbenzonitrile
PubChem CID81269742
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name4-[[2-(ethoxymethyl)phenyl]methylamino]-2-methylbenzonitrile
SMILESCCOCc1ccccc1CNc1ccc(C#N)c(C)c1
InChIInChI=1S/C18H20N2O/c1-3-21-13-17-7-5-4-6-16(17)12-20-18-9-8-15(11-19)14(2)10-18/h4-10,20H,3,12-13H2,1-2H3
InChIKeyMYFFIWSYTPCCCD-UHFFFAOYSA-N
XLogP4.02
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzylamino)-2-methylbenzonitrile
CID 81272992
2-[(4-hydroxy-3-methylanilino)methyl]benzonitrile
CID 114017959
[2-(ethoxymethyl)phenyl]methylcyanamide
CID 62481050
2-methyl-4-(pyridin-2-ylmethylamino)benzonitrile
CID 81272878
4-[(4-cyano-3-methylanilino)methyl]-3-fluorobenzonitrile
CID 81273859
3-methyl-4-nitro-N-[[2-(propoxymethyl)phenyl]methyl]aniline
CID 52679219
2-methyl-4-(pyridin-4-ylmethylamino)benzonitrile
CID 81274455
2-[(4-bromo-3,5-dimethylanilino)methyl]benzonitrile
CID 107936050
2-methyl-4-(2-phenylethylamino)benzonitrile
CID 81273543
2-methyl-4-(2-propylanilino)benzonitrile
CID 81281672
2-methyl-4-[(6-methyl-2-pyridinyl)methylamino]benzonitrile
CID 81274208
2-methyl-4-(2-propan-2-yloxyethylamino)benzonitrile
CID 104761629

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(ethoxymethyl)phenyl]methylamino]-2-methylbenzonitrile?
The IUPAC name of 4-[[2-(ethoxymethyl)phenyl]methylamino]-2-methylbenzonitrile (CID 81269742) is 4-[[2-(ethoxymethyl)phenyl]methylamino]-2-methylbenzonitrile.
What is the SMILES notation for 4-[[2-(ethoxymethyl)phenyl]methylamino]-2-methylbenzonitrile?
The canonical SMILES for 4-[[2-(ethoxymethyl)phenyl]methylamino]-2-methylbenzonitrile is CCOCc1ccccc1CNc1ccc(C#N)c(C)c1.
What is the InChIKey of 4-[[2-(ethoxymethyl)phenyl]methylamino]-2-methylbenzonitrile?
The InChIKey is MYFFIWSYTPCCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-3-21-13-17-7-5-4-6-16(17)12-20-18-9-8-15(11-19)14(2)10-18/h4-10,20H,3,12-13H2,1-2H3.
What are the key properties of 4-[[2-(ethoxymethyl)phenyl]methylamino]-2-methylbenzonitrile?
4-[[2-(ethoxymethyl)phenyl]methylamino]-2-methylbenzonitrile has a molecular weight of 280.37 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(ethoxymethyl)phenyl]methylamino]-2-methylbenzonitrile is sourced from PubChem (CID 81269742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).