3-[4-[[2-ethyl-6-(methylamino)phenyl]methoxy]-3-methylphenyl]benzonitrile

C24H24N2O — CID 144784809

IUPAC3-[4-[[2-ethyl-6-(methylamino)phenyl]methoxy]-3-methylphenyl]benzonitrile
SMILESCCc1cccc(NC)c1COc1ccc(-c2cccc(C#N)c2)cc1C
InChIInChI=1S/C24H24N2O/c1-4-19-8-6-10-23(26-3)22(19)16-27-24-12-11-21(13-17(24)2)20-9-5-7-18(14-20)15-25/h5-14,26H,4,16H2,1-3H3
InChIKeyFJPJUFUEAQVCAC-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.72
Rot. Bonds6

About 3-[4-[[2-ethyl-6-(methylamino)phenyl]methoxy]-3-methylphenyl]benzonitrile

3-[4-[[2-ethyl-6-(methylamino)phenyl]methoxy]-3-methylphenyl]benzonitrile (PubChem CID 144784809) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-[4-[[2-ethyl-6-(methylamino)phenyl]methoxy]-3-methylphenyl]benzonitrile.

Molecular Properties

Compound Name3-[4-[[2-ethyl-6-(methylamino)phenyl]methoxy]-3-methylphenyl]benzonitrile
PubChem CID144784809
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name3-[4-[[2-ethyl-6-(methylamino)phenyl]methoxy]-3-methylphenyl]benzonitrile
SMILESCCc1cccc(NC)c1COc1ccc(-c2cccc(C#N)c2)cc1C
InChIInChI=1S/C24H24N2O/c1-4-19-8-6-10-23(26-3)22(19)16-27-24-12-11-21(13-17(24)2)20-9-5-7-18(14-20)15-25/h5-14,26H,4,16H2,1-3H3
InChIKeyFJPJUFUEAQVCAC-UHFFFAOYSA-N
XLogP5.72
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[[2-methyl-6-(methylamino)phenyl]methoxy]phenol
CID 129110182
N,3-dimethyl-2-[[2-methyl-4-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)phenoxy]methyl]aniline
CID 144799577
5-[4-[[2-ethyl-6-(4-methyl-5-oxotetrazol-1-yl)phenyl]methoxy]-3-methylphenyl]pyridine-2-carbonitrile
CID 121331389
S-methyl N-[3-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamothioate
CID 126587843
3-[4-(hydroxymethyl)-3-methylphenyl]benzonitrile
CID 69444919
3-[(2-ethylphenoxy)methyl]benzonitrile
CID 39158687
2-[[5-(3-chlorophenyl)-2-methylphenoxy]methyl]-3-methoxy-N-methylaniline
CID 144739122
O-ethyl N-[3-ethyl-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]carbamothioate
CID 126588414
2-[(2,4-dimethylphenoxy)methyl]-3-ethylaniline
CID 118244149
3-chloro-2-[(4-fluoro-2-methylphenoxy)methyl]-N-methylaniline
CID 144932971
4-(2-ethylphenoxy)-3-methylbenzonitrile
CID 63513090
N,3-dimethyl-2-[(2-methyl-4-pentan-2-ylphenoxy)methyl]aniline
CID 144784724

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-ethyl-6-(methylamino)phenyl]methoxy]-3-methylphenyl]benzonitrile?
The IUPAC name of 3-[4-[[2-ethyl-6-(methylamino)phenyl]methoxy]-3-methylphenyl]benzonitrile (CID 144784809) is 3-[4-[[2-ethyl-6-(methylamino)phenyl]methoxy]-3-methylphenyl]benzonitrile.
What is the SMILES notation for 3-[4-[[2-ethyl-6-(methylamino)phenyl]methoxy]-3-methylphenyl]benzonitrile?
The canonical SMILES for 3-[4-[[2-ethyl-6-(methylamino)phenyl]methoxy]-3-methylphenyl]benzonitrile is CCc1cccc(NC)c1COc1ccc(-c2cccc(C#N)c2)cc1C.
What is the InChIKey of 3-[4-[[2-ethyl-6-(methylamino)phenyl]methoxy]-3-methylphenyl]benzonitrile?
The InChIKey is FJPJUFUEAQVCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c1-4-19-8-6-10-23(26-3)22(19)16-27-24-12-11-21(13-17(24)2)20-9-5-7-18(14-20)15-25/h5-14,26H,4,16H2,1-3H3.
What are the key properties of 3-[4-[[2-ethyl-6-(methylamino)phenyl]methoxy]-3-methylphenyl]benzonitrile?
3-[4-[[2-ethyl-6-(methylamino)phenyl]methoxy]-3-methylphenyl]benzonitrile has a molecular weight of 356.47 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-ethyl-6-(methylamino)phenyl]methoxy]-3-methylphenyl]benzonitrile is sourced from PubChem (CID 144784809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).