4-methoxy-2-methylaniline;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene

C15H17NO2 — CID 175081432

IUPAC4-methoxy-2-methylaniline;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene
SMILESCOc1ccc(N)c(C)c1.c1cc2cc(c1)OC2
InChIInChI=1S/C8H11NO.C7H6O/c1-6-5-7(10-2)3-4-8(6)9;1-2-6-4-7(3-1)8-5-6/h3-5H,9H2,1-2H3;1-4H,5H2
InChIKeyAMYLAIIEUUKQNJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.16
Rot. Bonds1

About 4-methoxy-2-methylaniline;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene

4-methoxy-2-methylaniline;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene (PubChem CID 175081432) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-methoxy-2-methylaniline;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene.

Molecular Properties

Compound Name4-methoxy-2-methylaniline;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene
PubChem CID175081432
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name4-methoxy-2-methylaniline;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene
SMILESCOc1ccc(N)c(C)c1.c1cc2cc(c1)OC2
InChIInChI=1S/C8H11NO.C7H6O/c1-6-5-7(10-2)3-4-8(6)9;1-2-6-4-7(3-1)8-5-6/h3-5H,9H2,1-2H3;1-4H,5H2
InChIKeyAMYLAIIEUUKQNJ-UHFFFAOYSA-N
XLogP3.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.16
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

6-methoxyquinoline-2-carboxylic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene
CID 174370193
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CID 43436240
4-(4-methoxyphenyl)sulfanyl-2-methylaniline
CID 43436441
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylaniline
CID 61418042
2-(4-bromo-3-methylphenoxy)-4-methoxyaniline
CID 83133415
4-(methoxymethoxy)-2-methylaniline
CID 14883323
4-methoxy-2-trimethylsilyloxyaniline
CID 167737964
ethene;1-methoxy-3-nitrobenzene;2-oxabicyclo[2.2.2]octa-1(6),4,7-triene
CID 174418478
(2-amino-3-methoxyphenyl)-(4-methoxy-2-methylphenyl)methanol
CID 107469490
2-(2,2-dimethylcyclopropyl)-5-methoxyaniline
CID 121014201
methyl 2-amino-5-methoxybenzoate
CID 13052275
4-methoxy-2-N-(4-methoxyphenyl)benzene-1,2-diamine
CID 69243063

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methylaniline;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene?
The IUPAC name of 4-methoxy-2-methylaniline;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene (CID 175081432) is 4-methoxy-2-methylaniline;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene.
What is the SMILES notation for 4-methoxy-2-methylaniline;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene?
The canonical SMILES for 4-methoxy-2-methylaniline;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene is COc1ccc(N)c(C)c1.c1cc2cc(c1)OC2.
What is the InChIKey of 4-methoxy-2-methylaniline;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene?
The InChIKey is AMYLAIIEUUKQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.C7H6O/c1-6-5-7(10-2)3-4-8(6)9;1-2-6-4-7(3-1)8-5-6/h3-5H,9H2,1-2H3;1-4H,5H2.
What are the key properties of 4-methoxy-2-methylaniline;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene?
4-methoxy-2-methylaniline;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene has a molecular weight of 243.31 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methylaniline;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene is sourced from PubChem (CID 175081432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).