1-methoxy-5,6,7,8-tetrahydroacridin-4-amine

C14H16N2O — CID 54268176

IUPAC1-methoxy-5,6,7,8-tetrahydroacridin-4-amine
SMILESCOc1ccc(N)c2nc3c(cc12)CCCC3
InChIInChI=1S/C14H16N2O/c1-17-13-7-6-11(15)14-10(13)8-9-4-2-3-5-12(9)16-14/h6-8H,2-5,15H2,1H3
InChIKeyRIFWTLMHBOXMMK-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.70
Rot. Bonds1

About 1-methoxy-5,6,7,8-tetrahydroacridin-4-amine

1-methoxy-5,6,7,8-tetrahydroacridin-4-amine (PubChem CID 54268176) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-methoxy-5,6,7,8-tetrahydroacridin-4-amine.

Molecular Properties

Compound Name1-methoxy-5,6,7,8-tetrahydroacridin-4-amine
PubChem CID54268176
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name1-methoxy-5,6,7,8-tetrahydroacridin-4-amine
SMILESCOc1ccc(N)c2nc3c(cc12)CCCC3
InChIInChI=1S/C14H16N2O/c1-17-13-7-6-11(15)14-10(13)8-9-4-2-3-5-12(9)16-14/h6-8H,2-5,15H2,1H3
InChIKeyRIFWTLMHBOXMMK-UHFFFAOYSA-N
XLogP2.70
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5,6,7,8-tetrahydroacridin-4-amine?
The IUPAC name of 1-methoxy-5,6,7,8-tetrahydroacridin-4-amine (CID 54268176) is 1-methoxy-5,6,7,8-tetrahydroacridin-4-amine.
What is the SMILES notation for 1-methoxy-5,6,7,8-tetrahydroacridin-4-amine?
The canonical SMILES for 1-methoxy-5,6,7,8-tetrahydroacridin-4-amine is COc1ccc(N)c2nc3c(cc12)CCCC3.
What is the InChIKey of 1-methoxy-5,6,7,8-tetrahydroacridin-4-amine?
The InChIKey is RIFWTLMHBOXMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-17-13-7-6-11(15)14-10(13)8-9-4-2-3-5-12(9)16-14/h6-8H,2-5,15H2,1H3.
What are the key properties of 1-methoxy-5,6,7,8-tetrahydroacridin-4-amine?
1-methoxy-5,6,7,8-tetrahydroacridin-4-amine has a molecular weight of 228.29 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5,6,7,8-tetrahydroacridin-4-amine is sourced from PubChem (CID 54268176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).