2-(1-aminoethyl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol

C13H19NO2 — CID 117316674

IUPAC2-(1-aminoethyl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCOc1cc(C(C)N)c(O)c2c1CCCC2
InChIInChI=1S/C13H19NO2/c1-8(14)11-7-12(16-2)9-5-3-4-6-10(9)13(11)15/h7-8,15H,3-6,14H2,1-2H3
InChIKeyCEAJQYVXUAXOFO-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.30
Rot. Bonds2

About 2-(1-aminoethyl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol

2-(1-aminoethyl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 117316674) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(1-aminoethyl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name2-(1-aminoethyl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID117316674
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(1-aminoethyl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCOc1cc(C(C)N)c(O)c2c1CCCC2
InChIInChI=1S/C13H19NO2/c1-8(14)11-7-12(16-2)9-5-3-4-6-10(9)13(11)15/h7-8,15H,3-6,14H2,1-2H3
InChIKeyCEAJQYVXUAXOFO-UHFFFAOYSA-N
XLogP2.30
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 2-(1-aminoethyl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol (CID 117316674) is 2-(1-aminoethyl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 2-(1-aminoethyl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 2-(1-aminoethyl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol is COc1cc(C(C)N)c(O)c2c1CCCC2.
What is the InChIKey of 2-(1-aminoethyl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is CEAJQYVXUAXOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-8(14)11-7-12(16-2)9-5-3-4-6-10(9)13(11)15/h7-8,15H,3-6,14H2,1-2H3.
What are the key properties of 2-(1-aminoethyl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol?
2-(1-aminoethyl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 221.30 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 117316674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).