3-ethoxy-5-naphthalen-1-yloxyaniline

C18H17NO2 — CID 80751912

IUPAC3-ethoxy-5-naphthalen-1-yloxyaniline
SMILESCCOc1cc(N)cc(Oc2cccc3ccccc23)c1
InChIInChI=1S/C18H17NO2/c1-2-20-15-10-14(19)11-16(12-15)21-18-9-5-7-13-6-3-4-8-17(13)18/h3-12H,2,19H2,1H3
InChIKeyQAJFJGLWCJTDEC-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.61
Rot. Bonds4

About 3-ethoxy-5-naphthalen-1-yloxyaniline

3-ethoxy-5-naphthalen-1-yloxyaniline (PubChem CID 80751912) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-ethoxy-5-naphthalen-1-yloxyaniline.

Molecular Properties

Compound Name3-ethoxy-5-naphthalen-1-yloxyaniline
PubChem CID80751912
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name3-ethoxy-5-naphthalen-1-yloxyaniline
SMILESCCOc1cc(N)cc(Oc2cccc3ccccc23)c1
InChIInChI=1S/C18H17NO2/c1-2-20-15-10-14(19)11-16(12-15)21-18-9-5-7-13-6-3-4-8-17(13)18/h3-12H,2,19H2,1H3
InChIKeyQAJFJGLWCJTDEC-UHFFFAOYSA-N
XLogP4.61
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.61
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-methoxy-5-naphthalen-1-yloxyaniline
CID 80748267
3-(2,6-dimethoxyphenoxy)-5-ethoxyaniline
CID 80752576
3-ethoxy-5-(2-ethylphenoxy)aniline
CID 80747947
3-(2-tert-butylphenoxy)-5-ethoxyaniline
CID 80752966
3-(2-ethoxyphenoxy)-5-methoxyaniline
CID 80748914
4-ethoxynaphthalen-2-amine
CID 57115135
3,5-diethoxyaniline
CID 22605063
2,6-dinaphthalen-1-yloxypyridin-4-amine
CID 59962167
lithium;1-ethoxynaphthalene;hydride
CID 174613942
3-ethoxy-5-(5-fluoro-2-methylphenoxy)aniline
CID 102980299
3-(2,5-dimethylphenoxy)-5-ethoxyaniline
CID 80748606
3-(3-ethoxyphenoxy)-5-methoxyaniline
CID 80748304

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-naphthalen-1-yloxyaniline?
The IUPAC name of 3-ethoxy-5-naphthalen-1-yloxyaniline (CID 80751912) is 3-ethoxy-5-naphthalen-1-yloxyaniline.
What is the SMILES notation for 3-ethoxy-5-naphthalen-1-yloxyaniline?
The canonical SMILES for 3-ethoxy-5-naphthalen-1-yloxyaniline is CCOc1cc(N)cc(Oc2cccc3ccccc23)c1.
What is the InChIKey of 3-ethoxy-5-naphthalen-1-yloxyaniline?
The InChIKey is QAJFJGLWCJTDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-2-20-15-10-14(19)11-16(12-15)21-18-9-5-7-13-6-3-4-8-17(13)18/h3-12H,2,19H2,1H3.
What are the key properties of 3-ethoxy-5-naphthalen-1-yloxyaniline?
3-ethoxy-5-naphthalen-1-yloxyaniline has a molecular weight of 279.34 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-naphthalen-1-yloxyaniline is sourced from PubChem (CID 80751912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).