3-methoxy-5-naphthalen-1-yloxyaniline

C17H15NO2 — CID 80748267

IUPAC3-methoxy-5-naphthalen-1-yloxyaniline
SMILESCOc1cc(N)cc(Oc2cccc3ccccc23)c1
InChIInChI=1S/C17H15NO2/c1-19-14-9-13(18)10-15(11-14)20-17-8-4-6-12-5-2-3-7-16(12)17/h2-11H,18H2,1H3
InChIKeyHHFYATLTXQWYBG-UHFFFAOYSA-N
MW265.31 g/mol
LogP4.22
Rot. Bonds3

About 3-methoxy-5-naphthalen-1-yloxyaniline

3-methoxy-5-naphthalen-1-yloxyaniline (PubChem CID 80748267) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-methoxy-5-naphthalen-1-yloxyaniline.

Molecular Properties

Compound Name3-methoxy-5-naphthalen-1-yloxyaniline
PubChem CID80748267
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name3-methoxy-5-naphthalen-1-yloxyaniline
SMILESCOc1cc(N)cc(Oc2cccc3ccccc23)c1
InChIInChI=1S/C17H15NO2/c1-19-14-9-13(18)10-15(11-14)20-17-8-4-6-12-5-2-3-7-16(12)17/h2-11H,18H2,1H3
InChIKeyHHFYATLTXQWYBG-UHFFFAOYSA-N
XLogP4.22
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-5-naphthalen-1-yloxyaniline
CID 80751912
3-(2-ethoxyphenoxy)-5-methoxyaniline
CID 80748914
2,6-dinaphthalen-1-yloxypyridin-4-amine
CID 59962167
2-(3-amino-5-methoxyphenoxy)benzamide
CID 80747937
1,3-dimethoxy-5-(2-methoxyphenoxy)benzene
CID 14020528
3-(2,6-dimethoxyphenoxy)-5-ethoxyaniline
CID 80752576
2-chloro-6-naphthalen-1-yloxypyridin-4-amine
CID 56990425
3-methoxy-1-(3-methoxynaphthalen-1-yl)oxynaphthalene
CID 138737035
3-(3-ethoxyphenoxy)-5-methoxyaniline
CID 80748304
3-fluoro-5-naphthalen-1-yloxyaniline;N-(3-fluoro-5-phenoxyphenyl)hydroxylamine
CID 159187818
5-phenoxynaphthalen-2-amine
CID 138739792
3-(3-chlorophenoxy)-5-methoxyaniline
CID 80748712

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-naphthalen-1-yloxyaniline?
The IUPAC name of 3-methoxy-5-naphthalen-1-yloxyaniline (CID 80748267) is 3-methoxy-5-naphthalen-1-yloxyaniline.
What is the SMILES notation for 3-methoxy-5-naphthalen-1-yloxyaniline?
The canonical SMILES for 3-methoxy-5-naphthalen-1-yloxyaniline is COc1cc(N)cc(Oc2cccc3ccccc23)c1.
What is the InChIKey of 3-methoxy-5-naphthalen-1-yloxyaniline?
The InChIKey is HHFYATLTXQWYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-19-14-9-13(18)10-15(11-14)20-17-8-4-6-12-5-2-3-7-16(12)17/h2-11H,18H2,1H3.
What are the key properties of 3-methoxy-5-naphthalen-1-yloxyaniline?
3-methoxy-5-naphthalen-1-yloxyaniline has a molecular weight of 265.31 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-naphthalen-1-yloxyaniline is sourced from PubChem (CID 80748267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).