3-(2,6-dimethoxyphenoxy)aniline

C14H15NO3 — CID 57089933

IUPAC3-(2,6-dimethoxyphenoxy)aniline
SMILESCOc1cccc(OC)c1Oc1cccc(N)c1
InChIInChI=1S/C14H15NO3/c1-16-12-7-4-8-13(17-2)14(12)18-11-6-3-5-10(15)9-11/h3-9H,15H2,1-2H3
InChIKeyKYHCAIPHWVNVKP-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.08
Rot. Bonds4

About 3-(2,6-dimethoxyphenoxy)aniline

3-(2,6-dimethoxyphenoxy)aniline (PubChem CID 57089933) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-(2,6-dimethoxyphenoxy)aniline.

Molecular Properties

Compound Name3-(2,6-dimethoxyphenoxy)aniline
PubChem CID57089933
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name3-(2,6-dimethoxyphenoxy)aniline
SMILESCOc1cccc(OC)c1Oc1cccc(N)c1
InChIInChI=1S/C14H15NO3/c1-16-12-7-4-8-13(17-2)14(12)18-11-6-3-5-10(15)9-11/h3-9H,15H2,1-2H3
InChIKeyKYHCAIPHWVNVKP-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

3-[2-(3-aminophenoxy)phenoxy]aniline
CID 22184040
3-(2,6-dimethoxyphenoxy)-5-ethoxyaniline
CID 80752576
3-methoxyaniline;sulfane
CID 174447811
1-fluoro-2-methoxybenzene;3-methoxyaniline
CID 174853611
3-(2,6-dimethoxyphenoxy)-5-nitroaniline
CID 80865638
3-[3,5-bis(3-aminophenoxy)phenoxy]aniline
CID 19698881
3-[4-(3-aminophenoxy)naphthalen-1-yl]oxyaniline
CID 66887751
3-[4-[4-[2-[2-[4-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338441
3-[2-[4-[3-[2-[3-[4-[2-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338477
3-[4-[2-[2-[4-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338564
3-[2-(3-phenoxyphenoxy)phenoxy]aniline
CID 141038666
3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338635

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxyphenoxy)aniline?
The IUPAC name of 3-(2,6-dimethoxyphenoxy)aniline (CID 57089933) is 3-(2,6-dimethoxyphenoxy)aniline.
What is the SMILES notation for 3-(2,6-dimethoxyphenoxy)aniline?
The canonical SMILES for 3-(2,6-dimethoxyphenoxy)aniline is COc1cccc(OC)c1Oc1cccc(N)c1.
What is the InChIKey of 3-(2,6-dimethoxyphenoxy)aniline?
The InChIKey is KYHCAIPHWVNVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-16-12-7-4-8-13(17-2)14(12)18-11-6-3-5-10(15)9-11/h3-9H,15H2,1-2H3.
What are the key properties of 3-(2,6-dimethoxyphenoxy)aniline?
3-(2,6-dimethoxyphenoxy)aniline 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 3-(2,6-dimethoxyphenoxy)aniline is sourced from PubChem (CID 57089933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).