4-[2-(2-methoxy-5-methylanilino)ethoxy]benzonitrile

C17H18N2O2 — CID 51248463

IUPAC4-[2-(2-methoxy-5-methylanilino)ethoxy]benzonitrile
SMILESCOc1ccc(C)cc1NCCOc1ccc(C#N)cc1
InChIInChI=1S/C17H18N2O2/c1-13-3-8-17(20-2)16(11-13)19-9-10-21-15-6-4-14(12-18)5-7-15/h3-8,11,19H,9-10H2,1-2H3
InChIKeyXJZHCMHORARALB-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.37
Rot. Bonds6

About 4-[2-(2-methoxy-5-methylanilino)ethoxy]benzonitrile

4-[2-(2-methoxy-5-methylanilino)ethoxy]benzonitrile (PubChem CID 51248463) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[2-(2-methoxy-5-methylanilino)ethoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-(2-methoxy-5-methylanilino)ethoxy]benzonitrile
PubChem CID51248463
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-[2-(2-methoxy-5-methylanilino)ethoxy]benzonitrile
SMILESCOc1ccc(C)cc1NCCOc1ccc(C#N)cc1
InChIInChI=1S/C17H18N2O2/c1-13-3-8-17(20-2)16(11-13)19-9-10-21-15-6-4-14(12-18)5-7-15/h3-8,11,19H,9-10H2,1-2H3
InChIKeyXJZHCMHORARALB-UHFFFAOYSA-N
XLogP3.37
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5-methyl-N-[4-(4-methylphenoxy)butyl]aniline
CID 82096579
3-[2-(4-cyanophenoxy)ethylamino]-4-methoxybenzamide
CID 56789679
2,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 54797025
2-methoxy-5-methyl-N-[4-(3-methylphenoxy)butyl]aniline
CID 82096578
N-[(4-butoxyphenyl)methyl]-2-methoxy-5-methylaniline
CID 39422641
N-[3-(4-methoxyphenoxy)propyl]-2,5-dimethylaniline
CID 82095922
4-[2-(2-chloro-5-methylphenoxy)ethoxy]benzonitrile
CID 43213511
N-(2-fluoroethyl)-2-methoxy-5-methylaniline
CID 80699786
4-fluoro-2-methoxy-N-[2-(4-methylphenoxy)ethyl]aniline
CID 55590956
3-(3-aminopropylamino)-4-methoxybenzonitrile
CID 106951112
N-[2-(2,5-dimethylphenoxy)ethyl]-2-methoxyaniline
CID 54798120
4-[3-(2-chloro-4-methylphenoxy)propoxy]benzonitrile
CID 63512823

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxy-5-methylanilino)ethoxy]benzonitrile?
The IUPAC name of 4-[2-(2-methoxy-5-methylanilino)ethoxy]benzonitrile (CID 51248463) is 4-[2-(2-methoxy-5-methylanilino)ethoxy]benzonitrile.
What is the SMILES notation for 4-[2-(2-methoxy-5-methylanilino)ethoxy]benzonitrile?
The canonical SMILES for 4-[2-(2-methoxy-5-methylanilino)ethoxy]benzonitrile is COc1ccc(C)cc1NCCOc1ccc(C#N)cc1.
What is the InChIKey of 4-[2-(2-methoxy-5-methylanilino)ethoxy]benzonitrile?
The InChIKey is XJZHCMHORARALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-13-3-8-17(20-2)16(11-13)19-9-10-21-15-6-4-14(12-18)5-7-15/h3-8,11,19H,9-10H2,1-2H3.
What are the key properties of 4-[2-(2-methoxy-5-methylanilino)ethoxy]benzonitrile?
4-[2-(2-methoxy-5-methylanilino)ethoxy]benzonitrile has a molecular weight of 282.34 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxy-5-methylanilino)ethoxy]benzonitrile is sourced from PubChem (CID 51248463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).