4,5-dimethoxy-2-phenoxyaniline

C14H15NO3 — CID 83008509

IUPAC4,5-dimethoxy-2-phenoxyaniline
SMILESCOc1cc(N)c(Oc2ccccc2)cc1OC
InChIInChI=1S/C14H15NO3/c1-16-13-8-11(15)12(9-14(13)17-2)18-10-6-4-3-5-7-10/h3-9H,15H2,1-2H3
InChIKeyJUSMWMFLDUPBKI-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.08
Rot. Bonds4

About 4,5-dimethoxy-2-phenoxyaniline

4,5-dimethoxy-2-phenoxyaniline (PubChem CID 83008509) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4,5-dimethoxy-2-phenoxyaniline.

Molecular Properties

Compound Name4,5-dimethoxy-2-phenoxyaniline
PubChem CID83008509
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name4,5-dimethoxy-2-phenoxyaniline
SMILESCOc1cc(N)c(Oc2ccccc2)cc1OC
InChIInChI=1S/C14H15NO3/c1-16-13-8-11(15)12(9-14(13)17-2)18-10-6-4-3-5-7-10/h3-9H,15H2,1-2H3
InChIKeyJUSMWMFLDUPBKI-UHFFFAOYSA-N
XLogP3.08
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-diphenoxybenzene-1,4-diamine
CID 139696987
1-(4,5-dimethoxy-2-phenoxyphenyl)-4,5-dimethoxy-2-phenoxybenzene
CID 11419749
4,5-dimethoxy-2-pyridin-3-yloxyaniline
CID 83008307
4,5-dimethoxy-2-(4-propan-2-ylphenoxy)aniline
CID 83005064
2-(2-bromo-4-methoxyphenoxy)-4,5-dimethoxyaniline
CID 104706561
2-(1,3-benzodioxol-5-yloxy)-4,5-dimethoxyaniline
CID 83005076
5-fluoro-4-methoxy-2-(4-methylphenoxy)aniline
CID 55215693
2-(3-bromophenoxy)-5-fluoro-4-methoxyaniline
CID 63599508
4,5-dimethoxy-2-(3-phenylpropoxy)aniline
CID 83005249
5-fluoro-2-(4-iodophenoxy)-4-methoxyaniline
CID 63598441
4-methoxy-2-phenoxynaphthalen-1-ol
CID 19872952
5-chloro-4-fluoro-2-phenoxyaniline
CID 66078478

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-phenoxyaniline?
The IUPAC name of 4,5-dimethoxy-2-phenoxyaniline (CID 83008509) is 4,5-dimethoxy-2-phenoxyaniline.
What is the SMILES notation for 4,5-dimethoxy-2-phenoxyaniline?
The canonical SMILES for 4,5-dimethoxy-2-phenoxyaniline is COc1cc(N)c(Oc2ccccc2)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-phenoxyaniline?
The InChIKey is JUSMWMFLDUPBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-16-13-8-11(15)12(9-14(13)17-2)18-10-6-4-3-5-7-10/h3-9H,15H2,1-2H3.
What are the key properties of 4,5-dimethoxy-2-phenoxyaniline?
4,5-dimethoxy-2-phenoxyaniline has a molecular weight of 245.28 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-phenoxyaniline is sourced from PubChem (CID 83008509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).