bicyclo[4.2.0]octa-1,3,5-triene;1-(3,4-dimethoxyphenyl)-N-methylmethanamine

C18H23NO2 — CID 174695660

IUPACbicyclo[4.2.0]octa-1,3,5-triene;1-(3,4-dimethoxyphenyl)-N-methylmethanamine
SMILESCNCc1ccc(OC)c(OC)c1.c1ccc2c(c1)CC2
InChIInChI=1S/C10H15NO2.C8H8/c1-11-7-8-4-5-9(12-2)10(6-8)13-3;1-2-4-8-6-5-7(8)3-1/h4-6,11H,7H2,1-3H3;1-4H,5-6H2
InChIKeyBVNLUNUODPPGTH-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.21
Rot. Bonds4

About bicyclo[4.2.0]octa-1,3,5-triene;1-(3,4-dimethoxyphenyl)-N-methylmethanamine

bicyclo[4.2.0]octa-1,3,5-triene;1-(3,4-dimethoxyphenyl)-N-methylmethanamine (PubChem CID 174695660) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is bicyclo[4.2.0]octa-1,3,5-triene;1-(3,4-dimethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Namebicyclo[4.2.0]octa-1,3,5-triene;1-(3,4-dimethoxyphenyl)-N-methylmethanamine
PubChem CID174695660
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Namebicyclo[4.2.0]octa-1,3,5-triene;1-(3,4-dimethoxyphenyl)-N-methylmethanamine
SMILESCNCc1ccc(OC)c(OC)c1.c1ccc2c(c1)CC2
InChIInChI=1S/C10H15NO2.C8H8/c1-11-7-8-4-5-9(12-2)10(6-8)13-3;1-2-4-8-6-5-7(8)3-1/h4-6,11H,7H2,1-3H3;1-4H,5-6H2
InChIKeyBVNLUNUODPPGTH-UHFFFAOYSA-N
XLogP3.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,7,14,15-tetramethoxytetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene
CID 172869288
1-(4-methoxy-3-propoxyphenyl)-N-methylmethanamine
CID 15079025
N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide
CID 75531448
1-[4-methoxy-3-(2-phenylsulfanylethoxy)phenyl]-N-methylmethanamine
CID 79214023
1-(3,4-dihydro-1H-isochromen-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]methanamine;hydrochloride
CID 2982530
1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-N-methylmethanamine
CID 43278729
2-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 7439429
1-[3-methoxy-4-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride
CID 155970638
2-[2-methoxy-4-(methylaminomethyl)phenoxy]propanamide
CID 43278556
1-[4-methoxy-3-(4-methylpentoxy)phenyl]-N-methylmethanamine
CID 83152802
methyl 2-[2-methoxy-4-(methylaminomethyl)phenoxy]acetate
CID 60882991
1-[2-methoxy-4-(methylaminomethyl)phenoxy]propan-2-ol
CID 60881863

Frequently Asked Questions

What is the IUPAC name of bicyclo[4.2.0]octa-1,3,5-triene;1-(3,4-dimethoxyphenyl)-N-methylmethanamine?
The IUPAC name of bicyclo[4.2.0]octa-1,3,5-triene;1-(3,4-dimethoxyphenyl)-N-methylmethanamine (CID 174695660) is bicyclo[4.2.0]octa-1,3,5-triene;1-(3,4-dimethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for bicyclo[4.2.0]octa-1,3,5-triene;1-(3,4-dimethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for bicyclo[4.2.0]octa-1,3,5-triene;1-(3,4-dimethoxyphenyl)-N-methylmethanamine is CNCc1ccc(OC)c(OC)c1.c1ccc2c(c1)CC2.
What is the InChIKey of bicyclo[4.2.0]octa-1,3,5-triene;1-(3,4-dimethoxyphenyl)-N-methylmethanamine?
The InChIKey is BVNLUNUODPPGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2.C8H8/c1-11-7-8-4-5-9(12-2)10(6-8)13-3;1-2-4-8-6-5-7(8)3-1/h4-6,11H,7H2,1-3H3;1-4H,5-6H2.
What are the key properties of bicyclo[4.2.0]octa-1,3,5-triene;1-(3,4-dimethoxyphenyl)-N-methylmethanamine?
bicyclo[4.2.0]octa-1,3,5-triene;1-(3,4-dimethoxyphenyl)-N-methylmethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[4.2.0]octa-1,3,5-triene;1-(3,4-dimethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 174695660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).