N-methoxy-2-methyl-4-phenoxyaniline

C14H15NO2 — CID 134408976

IUPACN-methoxy-2-methyl-4-phenoxyaniline
SMILESCONc1ccc(Oc2ccccc2)cc1C
InChIInChI=1S/C14H15NO2/c1-11-10-13(8-9-14(11)15-16-2)17-12-6-4-3-5-7-12/h3-10,15H,1-2H3
InChIKeyXCBSVGZCHHTRJE-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.76
Rot. Bonds4

About N-methoxy-2-methyl-4-phenoxyaniline

N-methoxy-2-methyl-4-phenoxyaniline (PubChem CID 134408976) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-methoxy-2-methyl-4-phenoxyaniline.

Molecular Properties

Compound NameN-methoxy-2-methyl-4-phenoxyaniline
PubChem CID134408976
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC NameN-methoxy-2-methyl-4-phenoxyaniline
SMILESCONc1ccc(Oc2ccccc2)cc1C
InChIInChI=1S/C14H15NO2/c1-11-10-13(8-9-14(11)15-16-2)17-12-6-4-3-5-7-12/h3-10,15H,1-2H3
InChIKeyXCBSVGZCHHTRJE-UHFFFAOYSA-N
XLogP3.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-3-phenoxyaniline
CID 90688975
2-methyl-4-phenoxyphenol
CID 23089676
3-(4-hydrazinyl-3-methylphenoxy)benzonitrile
CID 118138183
4-[4-(methoxyamino)-3-methylphenoxy]-N-(3-methoxyphenyl)pyrimidin-2-amine
CID 143053924
(2-methoxy-4-phenoxyphenyl)hydrazine
CID 118138218
2,6-dimethyl-4-phenoxybenzenethiol
CID 71052663
2,6-dimethyl-4-phenoxyaniline
CID 12546819
3-methyl-5-phenoxy-1H-indole
CID 82494590
1-(2-methyl-4-phenoxyphenyl)ethanol
CID 82264634
N-(2-methyl-4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 3046004
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
N,3-dimethyl-2-[(2-methyl-4-phenoxyphenoxy)methyl]aniline
CID 144784982

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-methyl-4-phenoxyaniline?
The IUPAC name of N-methoxy-2-methyl-4-phenoxyaniline (CID 134408976) is N-methoxy-2-methyl-4-phenoxyaniline.
What is the SMILES notation for N-methoxy-2-methyl-4-phenoxyaniline?
The canonical SMILES for N-methoxy-2-methyl-4-phenoxyaniline is CONc1ccc(Oc2ccccc2)cc1C.
What is the InChIKey of N-methoxy-2-methyl-4-phenoxyaniline?
The InChIKey is XCBSVGZCHHTRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-11-10-13(8-9-14(11)15-16-2)17-12-6-4-3-5-7-12/h3-10,15H,1-2H3.
What are the key properties of N-methoxy-2-methyl-4-phenoxyaniline?
N-methoxy-2-methyl-4-phenoxyaniline has a molecular weight of 229.28 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-methyl-4-phenoxyaniline is sourced from PubChem (CID 134408976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).