4-methoxy-6-morpholin-4-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-amine

C16H24N2O2 — CID 66712171

IUPAC4-methoxy-6-morpholin-4-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-amine
SMILESCOc1c(N)ccc2c1CC(N1CCOCC1)CCC2
InChIInChI=1S/C16H24N2O2/c1-19-16-14-11-13(18-7-9-20-10-8-18)4-2-3-12(14)5-6-15(16)17/h5-6,13H,2-4,7-11,17H2,1H3
InChIKeyGGXYGYHLFMCTQR-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.86
Rot. Bonds2

About 4-methoxy-6-morpholin-4-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-amine

4-methoxy-6-morpholin-4-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-amine (PubChem CID 66712171) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-methoxy-6-morpholin-4-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-amine.

Molecular Properties

Compound Name4-methoxy-6-morpholin-4-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-amine
PubChem CID66712171
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-methoxy-6-morpholin-4-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-amine
SMILESCOc1c(N)ccc2c1CC(N1CCOCC1)CCC2
InChIInChI=1S/C16H24N2O2/c1-19-16-14-11-13(18-7-9-20-10-8-18)4-2-3-12(14)5-6-15(16)17/h5-6,13H,2-4,7-11,17H2,1H3
InChIKeyGGXYGYHLFMCTQR-UHFFFAOYSA-N
XLogP1.86
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-morpholin-4-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-amine?
The IUPAC name of 4-methoxy-6-morpholin-4-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-amine (CID 66712171) is 4-methoxy-6-morpholin-4-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-amine.
What is the SMILES notation for 4-methoxy-6-morpholin-4-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-amine?
The canonical SMILES for 4-methoxy-6-morpholin-4-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-amine is COc1c(N)ccc2c1CC(N1CCOCC1)CCC2.
What is the InChIKey of 4-methoxy-6-morpholin-4-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-amine?
The InChIKey is GGXYGYHLFMCTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-19-16-14-11-13(18-7-9-20-10-8-18)4-2-3-12(14)5-6-15(16)17/h5-6,13H,2-4,7-11,17H2,1H3.
What are the key properties of 4-methoxy-6-morpholin-4-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-amine?
4-methoxy-6-morpholin-4-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-amine has a molecular weight of 276.38 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-morpholin-4-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-amine is sourced from PubChem (CID 66712171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).