1-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-ethoxymethanamine

C15H23NO3 — CID 11277087

IUPAC1-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-ethoxymethanamine
SMILESCCONCC1CCc2c(ccc(OC)c2OC)C1
InChIInChI=1S/C15H23NO3/c1-4-19-16-10-11-5-7-13-12(9-11)6-8-14(17-2)15(13)18-3/h6,8,11,16H,4-5,7,9-10H2,1-3H3
InChIKeyQQMYZSPYLAITCL-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.35
Rot. Bonds6

About 1-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-ethoxymethanamine

1-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-ethoxymethanamine (PubChem CID 11277087) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-ethoxymethanamine.

Molecular Properties

Compound Name1-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-ethoxymethanamine
PubChem CID11277087
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-ethoxymethanamine
SMILESCCONCC1CCc2c(ccc(OC)c2OC)C1
InChIInChI=1S/C15H23NO3/c1-4-19-16-10-11-5-7-13-12(9-11)6-8-14(17-2)15(13)18-3/h6,8,11,16H,4-5,7,9-10H2,1-3H3
InChIKeyQQMYZSPYLAITCL-UHFFFAOYSA-N
XLogP2.35
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-ethoxymethanamine?
The IUPAC name of 1-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-ethoxymethanamine (CID 11277087) is 1-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-ethoxymethanamine.
What is the SMILES notation for 1-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-ethoxymethanamine?
The canonical SMILES for 1-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-ethoxymethanamine is CCONCC1CCc2c(ccc(OC)c2OC)C1.
What is the InChIKey of 1-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-ethoxymethanamine?
The InChIKey is QQMYZSPYLAITCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-19-16-10-11-5-7-13-12(9-11)6-8-14(17-2)15(13)18-3/h6,8,11,16H,4-5,7,9-10H2,1-3H3.
What are the key properties of 1-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-ethoxymethanamine?
1-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-ethoxymethanamine has a molecular weight of 265.35 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-ethoxymethanamine is sourced from PubChem (CID 11277087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).