1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-methylphenyl]-N-methylmethanamine

C18H21NO — CID 66419666

IUPAC1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-methylphenyl]-N-methylmethanamine
SMILESCNCc1cc(C)ccc1OCC1Cc2ccccc21
InChIInChI=1S/C18H21NO/c1-13-7-8-18(15(9-13)11-19-2)20-12-16-10-14-5-3-4-6-17(14)16/h3-9,16,19H,10-12H2,1-2H3
InChIKeyIGYQYOJOICYDIY-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.43
Rot. Bonds5

About 1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-methylphenyl]-N-methylmethanamine

1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-methylphenyl]-N-methylmethanamine (PubChem CID 66419666) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-methylphenyl]-N-methylmethanamine
PubChem CID66419666
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-methylphenyl]-N-methylmethanamine
SMILESCNCc1cc(C)ccc1OCC1Cc2ccccc21
InChIInChI=1S/C18H21NO/c1-13-7-8-18(15(9-13)11-19-2)20-12-16-10-14-5-3-4-6-17(14)16/h3-9,16,19H,10-12H2,1-2H3
InChIKeyIGYQYOJOICYDIY-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-chlorophenyl]-N-methylmethanamine
CID 66419464
7-[(2-bromo-4-methylphenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene
CID 66419117
1-[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3-chlorophenyl]-N-methylmethanamine
CID 66418487
N-methyl-1-[5-methyl-2-(oxan-4-ylmethoxy)phenyl]methanamine
CID 55204163
N-methyl-1-(5-methyl-2-propoxyphenyl)methanamine
CID 63323239
7-[(2-methyl-5-propan-2-ylphenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene
CID 81005539
1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-fluorophenyl]propan-2-amine
CID 107700921
7-[(2-bromo-4-methoxyphenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene
CID 104707526
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenol
CID 66417200
2-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-bromophenyl]ethanamine
CID 66397004
1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 63322567
N-methyl-1-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 63323237

Frequently Asked Questions

What is the IUPAC name of 1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-methylphenyl]-N-methylmethanamine (CID 66419666) is 1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-methylphenyl]-N-methylmethanamine is CNCc1cc(C)ccc1OCC1Cc2ccccc21.
What is the InChIKey of 1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-methylphenyl]-N-methylmethanamine?
The InChIKey is IGYQYOJOICYDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-7-8-18(15(9-13)11-19-2)20-12-16-10-14-5-3-4-6-17(14)16/h3-9,16,19H,10-12H2,1-2H3.
What are the key properties of 1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-methylphenyl]-N-methylmethanamine?
1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-methylphenyl]-N-methylmethanamine has a molecular weight of 267.37 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 66419666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).