N-methoxy-3-phenoxyaniline

C13H13NO2 — CID 90688975

IUPACN-methoxy-3-phenoxyaniline
SMILESCONc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C13H13NO2/c1-15-14-11-6-5-9-13(10-11)16-12-7-3-2-4-8-12/h2-10,14H,1H3
InChIKeyYKQDYLAXMJCSGK-UHFFFAOYSA-N
MW215.25 g/mol
LogP3.45
Rot. Bonds4

About N-methoxy-3-phenoxyaniline

N-methoxy-3-phenoxyaniline (PubChem CID 90688975) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-methoxy-3-phenoxyaniline.

Molecular Properties

Compound NameN-methoxy-3-phenoxyaniline
PubChem CID90688975
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC NameN-methoxy-3-phenoxyaniline
SMILESCONc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C13H13NO2/c1-15-14-11-6-5-9-13(10-11)16-12-7-3-2-4-8-12/h2-10,14H,1H3
InChIKeyYKQDYLAXMJCSGK-UHFFFAOYSA-N
XLogP3.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 53.45
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

benzene;N-methoxyaniline
CID 159505017
1-methoxy-1-methyl-3-(3-phenoxyphenyl)urea
CID 13424071
1-methyl-3-(3-phenoxyphenyl)urea
CID 47127200
N-methoxy-2-methyl-4-phenoxyaniline
CID 134408976
2-methyl-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 110912668
N-cyclopentyl-3-phenoxyaniline
CID 55191413
3-methoxy-2-(3-phenoxyanilino)propanoic acid
CID 103243354
N'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide
CID 44999403
1-amino-2-methyl-3-(3-phenoxyphenyl)guanidine
CID 116510859
1-(3-methoxyphenyl)-3-(4-phenoxyphenyl)thiourea
CID 1288991
4-methyl-N-(3-phenoxyphenyl)benzamide
CID 59304535
2-methyl-N-(3-phenoxyphenyl)butanamide
CID 53364670

Frequently Asked Questions

What is the IUPAC name of N-methoxy-3-phenoxyaniline?
The IUPAC name of N-methoxy-3-phenoxyaniline (CID 90688975) is N-methoxy-3-phenoxyaniline.
What is the SMILES notation for N-methoxy-3-phenoxyaniline?
The canonical SMILES for N-methoxy-3-phenoxyaniline is CONc1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-methoxy-3-phenoxyaniline?
The InChIKey is YKQDYLAXMJCSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-15-14-11-6-5-9-13(10-11)16-12-7-3-2-4-8-12/h2-10,14H,1H3.
What are the key properties of N-methoxy-3-phenoxyaniline?
N-methoxy-3-phenoxyaniline has a molecular weight of 215.25 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-3-phenoxyaniline is sourced from PubChem (CID 90688975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).