2-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-4-methoxyphenyl]ethanamine

C18H21NO2 — CID 66394870

IUPAC2-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-4-methoxyphenyl]ethanamine
SMILESCOc1ccc(CCN)c(OCC2Cc3ccccc32)c1
InChIInChI=1S/C18H21NO2/c1-20-16-7-6-13(8-9-19)18(11-16)21-12-15-10-14-4-2-3-5-17(14)15/h2-7,11,15H,8-10,12,19H2,1H3
InChIKeyXPJYBEBHVGNWRY-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.92
Rot. Bonds6

About 2-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-4-methoxyphenyl]ethanamine

2-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-4-methoxyphenyl]ethanamine (PubChem CID 66394870) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-4-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-4-methoxyphenyl]ethanamine
PubChem CID66394870
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-4-methoxyphenyl]ethanamine
SMILESCOc1ccc(CCN)c(OCC2Cc3ccccc32)c1
InChIInChI=1S/C18H21NO2/c1-20-16-7-6-13(8-9-19)18(11-16)21-12-15-10-14-4-2-3-5-17(14)15/h2-7,11,15H,8-10,12,19H2,1H3
InChIKeyXPJYBEBHVGNWRY-UHFFFAOYSA-N
XLogP2.92
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-4-methoxyphenyl]ethanamine with MolForge

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Related Compounds

7-[(2-bromo-4-methoxyphenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene
CID 104707526
1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-4-methoxyphenyl]ethanone
CID 82003693
2-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-bromophenyl]ethanamine
CID 66397004
[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methoxyphenyl]methanamine
CID 79205890
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,4-dimethoxyaniline
CID 66419675
2-[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
CID 54977200
2-(2-butoxy-4-methoxyphenyl)ethanamine
CID 20985365
2-[4-methoxy-2-(2-naphthalen-2-yloxyethoxy)phenyl]ethanamine
CID 20984431
2-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3,5-dichlorophenyl]ethanamine
CID 66394290
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenol
CID 66417200
7-[[4-(chloromethyl)-2-methoxyphenoxy]methyl]bicyclo[4.2.0]octa-1,3,5-triene
CID 66417199
2-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanamine
CID 61268017

Frequently Asked Questions

What is the IUPAC name of 2-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-4-methoxyphenyl]ethanamine?
The IUPAC name of 2-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-4-methoxyphenyl]ethanamine (CID 66394870) is 2-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-4-methoxyphenyl]ethanamine.
What is the SMILES notation for 2-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-4-methoxyphenyl]ethanamine?
The canonical SMILES for 2-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-4-methoxyphenyl]ethanamine is COc1ccc(CCN)c(OCC2Cc3ccccc32)c1.
What is the InChIKey of 2-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-4-methoxyphenyl]ethanamine?
The InChIKey is XPJYBEBHVGNWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-20-16-7-6-13(8-9-19)18(11-16)21-12-15-10-14-4-2-3-5-17(14)15/h2-7,11,15H,8-10,12,19H2,1H3.
What are the key properties of 2-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-4-methoxyphenyl]ethanamine?
2-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-4-methoxyphenyl]ethanamine has a molecular weight of 283.37 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-4-methoxyphenyl]ethanamine is sourced from PubChem (CID 66394870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).