4-(3-methoxyphenoxy)aniline

C13H13NO2 — CID 807086

IUPAC4-(3-methoxyphenoxy)aniline
SMILESCOc1cccc(Oc2ccc(N)cc2)c1
InChIInChI=1S/C13H13NO2/c1-15-12-3-2-4-13(9-12)16-11-7-5-10(14)6-8-11/h2-9H,14H2,1H3
InChIKeyMNHIVXZAHWHPHI-UHFFFAOYSA-N
MW215.25 g/mol
LogP3.07
Rot. Bonds3

About 4-(3-methoxyphenoxy)aniline

4-(3-methoxyphenoxy)aniline (PubChem CID 807086) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-(3-methoxyphenoxy)aniline.

Molecular Properties

Compound Name4-(3-methoxyphenoxy)aniline
PubChem CID807086
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name4-(3-methoxyphenoxy)aniline
SMILESCOc1cccc(Oc2ccc(N)cc2)c1
InChIInChI=1S/C13H13NO2/c1-15-12-3-2-4-13(9-12)16-11-7-5-10(14)6-8-11/h2-9H,14H2,1H3
InChIKeyMNHIVXZAHWHPHI-UHFFFAOYSA-N
XLogP3.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

P-Anisidine
CID 7732
4-Ethoxyaniline
CID 9076
4,4'-Diaminodiphenyl Ether
CID 7579
4-Hexyloxyaniline
CID 38360
Benzenamine, 4,4'-[1,3-phenylenebis(oxy)]bis-
CID 17201
2,4-Dimethoxyaniline
CID 17652
4-Anisidine hydrochloride
CID 2734956
2,4-Dimethoxyaniline hydrochloride
CID 5284385
4-Butyloxyaniline
CID 20352
(4-Aminophenoxy)benzene
CID 8764
3,5-Dimethoxyaniline
CID 66301
Benzenamine, 4-propoxy-
CID 78221

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenoxy)aniline?
The IUPAC name of 4-(3-methoxyphenoxy)aniline (CID 807086) is 4-(3-methoxyphenoxy)aniline.
What is the SMILES notation for 4-(3-methoxyphenoxy)aniline?
The canonical SMILES for 4-(3-methoxyphenoxy)aniline is COc1cccc(Oc2ccc(N)cc2)c1.
What is the InChIKey of 4-(3-methoxyphenoxy)aniline?
The InChIKey is MNHIVXZAHWHPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-15-12-3-2-4-13(9-12)16-11-7-5-10(14)6-8-11/h2-9H,14H2,1H3.
What are the key properties of 4-(3-methoxyphenoxy)aniline?
4-(3-methoxyphenoxy)aniline has a molecular weight of 215.25 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenoxy)aniline is sourced from PubChem (CID 807086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).