N-(2,6-dimethylphenyl)-7-oxabicyclo[4.2.0]octa-1(6),2,4-trien-4-amine

C15H15NO — CID 70366918

IUPACN-(2,6-dimethylphenyl)-7-oxabicyclo[4.2.0]octa-1(6),2,4-trien-4-amine
SMILESCc1cccc(C)c1Nc1ccc2c(c1)OC2
InChIInChI=1S/C15H15NO/c1-10-4-3-5-11(2)15(10)16-13-7-6-12-9-17-14(12)8-13/h3-8,16H,9H2,1-2H3
InChIKeyKTYNFBOJWFCMFL-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.94
Rot. Bonds2

About N-(2,6-dimethylphenyl)-7-oxabicyclo[4.2.0]octa-1(6),2,4-trien-4-amine

N-(2,6-dimethylphenyl)-7-oxabicyclo[4.2.0]octa-1(6),2,4-trien-4-amine (PubChem CID 70366918) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-7-oxabicyclo[4.2.0]octa-1(6),2,4-trien-4-amine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-7-oxabicyclo[4.2.0]octa-1(6),2,4-trien-4-amine
PubChem CID70366918
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC NameN-(2,6-dimethylphenyl)-7-oxabicyclo[4.2.0]octa-1(6),2,4-trien-4-amine
SMILESCc1cccc(C)c1Nc1ccc2c(c1)OC2
InChIInChI=1S/C15H15NO/c1-10-4-3-5-11(2)15(10)16-13-7-6-12-9-17-14(12)8-13/h3-8,16H,9H2,1-2H3
InChIKeyKTYNFBOJWFCMFL-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-7-oxabicyclo[4.2.0]octa-1(6),2,4-trien-4-amine?
The IUPAC name of N-(2,6-dimethylphenyl)-7-oxabicyclo[4.2.0]octa-1(6),2,4-trien-4-amine (CID 70366918) is N-(2,6-dimethylphenyl)-7-oxabicyclo[4.2.0]octa-1(6),2,4-trien-4-amine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-7-oxabicyclo[4.2.0]octa-1(6),2,4-trien-4-amine?
The canonical SMILES for N-(2,6-dimethylphenyl)-7-oxabicyclo[4.2.0]octa-1(6),2,4-trien-4-amine is Cc1cccc(C)c1Nc1ccc2c(c1)OC2.
What is the InChIKey of N-(2,6-dimethylphenyl)-7-oxabicyclo[4.2.0]octa-1(6),2,4-trien-4-amine?
The InChIKey is KTYNFBOJWFCMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-10-4-3-5-11(2)15(10)16-13-7-6-12-9-17-14(12)8-13/h3-8,16H,9H2,1-2H3.
What are the key properties of N-(2,6-dimethylphenyl)-7-oxabicyclo[4.2.0]octa-1(6),2,4-trien-4-amine?
N-(2,6-dimethylphenyl)-7-oxabicyclo[4.2.0]octa-1(6),2,4-trien-4-amine has a molecular weight of 225.29 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-7-oxabicyclo[4.2.0]octa-1(6),2,4-trien-4-amine is sourced from PubChem (CID 70366918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).