N-ethyl-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C15H23NO3 — CID 55109328

IUPACN-ethyl-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1CCCc2c1cc(OC)c(OC)c2OC
InChIInChI=1S/C15H23NO3/c1-5-16-12-8-6-7-10-11(12)9-13(17-2)15(19-4)14(10)18-3/h9,12,16H,5-8H2,1-4H3
InChIKeyZHBHJLKUTLXQKX-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.70
Rot. Bonds5

About N-ethyl-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine

N-ethyl-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 55109328) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-ethyl-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-ethyl-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID55109328
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-ethyl-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1CCCc2c1cc(OC)c(OC)c2OC
InChIInChI=1S/C15H23NO3/c1-5-16-12-8-6-7-10-11(12)9-13(17-2)15(19-4)14(10)18-3/h9,12,16H,5-8H2,1-4H3
InChIKeyZHBHJLKUTLXQKX-UHFFFAOYSA-N
XLogP2.70
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-ethyl-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 55109328) is N-ethyl-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-ethyl-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-ethyl-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine is CCNC1CCCc2c1cc(OC)c(OC)c2OC.
What is the InChIKey of N-ethyl-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is ZHBHJLKUTLXQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-16-12-8-6-7-10-11(12)9-13(17-2)15(19-4)14(10)18-3/h9,12,16H,5-8H2,1-4H3.
What are the key properties of N-ethyl-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
N-ethyl-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 265.35 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 55109328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).