(2-methoxyphenyl)methanamine;2-oxabicyclo[2.2.2]octa-1(6),4,7-triene

C15H17NO2 — CID 174491309

IUPAC(2-methoxyphenyl)methanamine;2-oxabicyclo[2.2.2]octa-1(6),4,7-triene
SMILESCOc1ccccc1CN.c1cc2ccc1CO2
InChIInChI=1S/C8H11NO.C7H6O/c1-10-8-5-3-2-4-7(8)6-9;1-3-7-4-2-6(1)5-8-7/h2-5H,6,9H2,1H3;1-4H,5H2
InChIKeyDCAXKYXVRZGUHM-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.73
Rot. Bonds2

About (2-methoxyphenyl)methanamine;2-oxabicyclo[2.2.2]octa-1(6),4,7-triene

(2-methoxyphenyl)methanamine;2-oxabicyclo[2.2.2]octa-1(6),4,7-triene (PubChem CID 174491309) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (2-methoxyphenyl)methanamine;2-oxabicyclo[2.2.2]octa-1(6),4,7-triene.

Molecular Properties

Compound Name(2-methoxyphenyl)methanamine;2-oxabicyclo[2.2.2]octa-1(6),4,7-triene
PubChem CID174491309
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(2-methoxyphenyl)methanamine;2-oxabicyclo[2.2.2]octa-1(6),4,7-triene
SMILESCOc1ccccc1CN.c1cc2ccc1CO2
InChIInChI=1S/C8H11NO.C7H6O/c1-10-8-5-3-2-4-7(8)6-9;1-3-7-4-2-6(1)5-8-7/h2-5H,6,9H2,1H3;1-4H,5H2
InChIKeyDCAXKYXVRZGUHM-UHFFFAOYSA-N
XLogP2.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)methanamine;2-oxabicyclo[2.2.2]octa-1(6),4,7-triene?
The IUPAC name of (2-methoxyphenyl)methanamine;2-oxabicyclo[2.2.2]octa-1(6),4,7-triene (CID 174491309) is (2-methoxyphenyl)methanamine;2-oxabicyclo[2.2.2]octa-1(6),4,7-triene.
What is the SMILES notation for (2-methoxyphenyl)methanamine;2-oxabicyclo[2.2.2]octa-1(6),4,7-triene?
The canonical SMILES for (2-methoxyphenyl)methanamine;2-oxabicyclo[2.2.2]octa-1(6),4,7-triene is COc1ccccc1CN.c1cc2ccc1CO2.
What is the InChIKey of (2-methoxyphenyl)methanamine;2-oxabicyclo[2.2.2]octa-1(6),4,7-triene?
The InChIKey is DCAXKYXVRZGUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.C7H6O/c1-10-8-5-3-2-4-7(8)6-9;1-3-7-4-2-6(1)5-8-7/h2-5H,6,9H2,1H3;1-4H,5H2.
What are the key properties of (2-methoxyphenyl)methanamine;2-oxabicyclo[2.2.2]octa-1(6),4,7-triene?
(2-methoxyphenyl)methanamine;2-oxabicyclo[2.2.2]octa-1(6),4,7-triene has a molecular weight of 243.31 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)methanamine;2-oxabicyclo[2.2.2]octa-1(6),4,7-triene is sourced from PubChem (CID 174491309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).