2-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]benzonitrile

C18H20N2O — CID 115952624

IUPAC2-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]benzonitrile
SMILESCCNCc1cccc(C)c1OCc1ccccc1C#N
InChIInChI=1S/C18H20N2O/c1-3-20-12-16-10-6-7-14(2)18(16)21-13-17-9-5-4-8-15(17)11-19/h4-10,20H,3,12-13H2,1-2H3
InChIKeySNYUGGFAZFTRQQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.56
Rot. Bonds6

About 2-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]benzonitrile

2-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]benzonitrile (PubChem CID 115952624) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]benzonitrile
PubChem CID115952624
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]benzonitrile
SMILESCCNCc1cccc(C)c1OCc1ccccc1C#N
InChIInChI=1S/C18H20N2O/c1-3-20-12-16-10-6-7-14(2)18(16)21-13-17-9-5-4-8-15(17)11-19/h4-10,20H,3,12-13H2,1-2H3
InChIKeySNYUGGFAZFTRQQ-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(ethylaminomethyl)-6-methylphenoxy]acetonitrile
CID 112609123
N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine
CID 97179094
2-fluoro-3-[[2-methyl-6-(methylaminomethyl)phenoxy]methyl]benzonitrile
CID 107114294
N-[[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 115952657
4-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]phenol
CID 115952579
N-[[3-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 115953307
N-[[3-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 115952978
4-[2-(ethylaminomethyl)-6-methylphenoxy]-2,2-dimethylbutanenitrile
CID 112609120
N-[[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 112609118
N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 115952569
N-[[3-methyl-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 107041605
N-[[2-(3-fluoropropoxy)-3-methylphenyl]methyl]ethanamine
CID 112609046

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]benzonitrile?
The IUPAC name of 2-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]benzonitrile (CID 115952624) is 2-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]benzonitrile.
What is the SMILES notation for 2-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]benzonitrile?
The canonical SMILES for 2-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]benzonitrile is CCNCc1cccc(C)c1OCc1ccccc1C#N.
What is the InChIKey of 2-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]benzonitrile?
The InChIKey is SNYUGGFAZFTRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-3-20-12-16-10-6-7-14(2)18(16)21-13-17-9-5-4-8-15(17)11-19/h4-10,20H,3,12-13H2,1-2H3.
What are the key properties of 2-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]benzonitrile?
2-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]benzonitrile has a molecular weight of 280.37 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]benzonitrile is sourced from PubChem (CID 115952624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).