(1S,2R,5S,14R)-11-methoxy-14-[2-(methylamino)ethyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,6,8(13),9,11-pentaen-2-ol

C18H21NO3 — CID 135009944

IUPAC(1S,2R,5S,14R)-11-methoxy-14-[2-(methylamino)ethyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,6,8(13),9,11-pentaen-2-ol
SMILESCNCC[C@@]12c3c4ccc(OC)c3O[C@@H]1[C@H](O)C=C[C@@H]2C=C4
InChIInChI=1S/C18H21NO3/c1-19-10-9-18-12-5-3-11-4-8-14(21-2)16(15(11)18)22-17(18)13(20)7-6-12/h3-8,12-13,17,19-20H,9-10H2,1-2H3/t12-,13+,17+,18+/m0/s1
InChIKeyUYZBEQLUPPXGCM-QIZIZJAASA-N
MW299.37 g/mol
LogP1.88
Rot. Bonds4

About (1S,2R,5S,14R)-11-methoxy-14-[2-(methylamino)ethyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,6,8(13),9,11-pentaen-2-ol

(1S,2R,5S,14R)-11-methoxy-14-[2-(methylamino)ethyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,6,8(13),9,11-pentaen-2-ol (PubChem CID 135009944) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is (1S,2R,5S,14R)-11-methoxy-14-[2-(methylamino)ethyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,6,8(13),9,11-pentaen-2-ol.

Molecular Properties

Compound Name(1S,2R,5S,14R)-11-methoxy-14-[2-(methylamino)ethyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,6,8(13),9,11-pentaen-2-ol
PubChem CID135009944
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name(1S,2R,5S,14R)-11-methoxy-14-[2-(methylamino)ethyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,6,8(13),9,11-pentaen-2-ol
SMILESCNCC[C@@]12c3c4ccc(OC)c3O[C@@H]1[C@H](O)C=C[C@@H]2C=C4
InChIInChI=1S/C18H21NO3/c1-19-10-9-18-12-5-3-11-4-8-14(21-2)16(15(11)18)22-17(18)13(20)7-6-12/h3-8,12-13,17,19-20H,9-10H2,1-2H3/t12-,13+,17+,18+/m0/s1
InChIKeyUYZBEQLUPPXGCM-QIZIZJAASA-N
XLogP1.88
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1S,2R,5S,14R)-11-methoxy-14-[2-(methylamino)ethyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,6,8(13),9,11-pentaen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Codeine
CID 5284371
(-)-Galantamine
CID 9651
Ethylmorphine
CID 5359271
Galantamine Hydrobromide
CID 121587
Normorphine
CID 5462508
Norcodeine
CID 9925873
N-Desmethylgalantamine
CID 9838394
7,8-Didehydro-4,5-epoxymorphinan-3,6-diol
CID 430245
Galantamin
CID 3449
Isocodeine
CID 5324288
Epigalantamine
CID 676392
Sanguinine
CID 443722

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S,14R)-11-methoxy-14-[2-(methylamino)ethyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,6,8(13),9,11-pentaen-2-ol?
The IUPAC name of (1S,2R,5S,14R)-11-methoxy-14-[2-(methylamino)ethyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,6,8(13),9,11-pentaen-2-ol (CID 135009944) is (1S,2R,5S,14R)-11-methoxy-14-[2-(methylamino)ethyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,6,8(13),9,11-pentaen-2-ol.
What is the SMILES notation for (1S,2R,5S,14R)-11-methoxy-14-[2-(methylamino)ethyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,6,8(13),9,11-pentaen-2-ol?
The canonical SMILES for (1S,2R,5S,14R)-11-methoxy-14-[2-(methylamino)ethyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,6,8(13),9,11-pentaen-2-ol is CNCC[C@@]12c3c4ccc(OC)c3O[C@@H]1[C@H](O)C=C[C@@H]2C=C4.
What is the InChIKey of (1S,2R,5S,14R)-11-methoxy-14-[2-(methylamino)ethyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,6,8(13),9,11-pentaen-2-ol?
The InChIKey is UYZBEQLUPPXGCM-QIZIZJAASA-N. The full InChI is InChI=1S/C18H21NO3/c1-19-10-9-18-12-5-3-11-4-8-14(21-2)16(15(11)18)22-17(18)13(20)7-6-12/h3-8,12-13,17,19-20H,9-10H2,1-2H3/t12-,13+,17+,18+/m0/s1.
What are the key properties of (1S,2R,5S,14R)-11-methoxy-14-[2-(methylamino)ethyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,6,8(13),9,11-pentaen-2-ol?
(1S,2R,5S,14R)-11-methoxy-14-[2-(methylamino)ethyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,6,8(13),9,11-pentaen-2-ol has a molecular weight of 299.37 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S,14R)-11-methoxy-14-[2-(methylamino)ethyl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-3,6,8(13),9,11-pentaen-2-ol is sourced from PubChem (CID 135009944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).