10-[2-(4-methoxyphenyl)ethylamino]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol

C19H19N3O2 — CID 135955779

IUPAC10-[2-(4-methoxyphenyl)ethylamino]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol
SMILESCOc1ccc(CCNc2cc3c4c(c2O)N=CC=4CCN=3)cc1
InChIInChI=1S/C19H19N3O2/c1-24-14-4-2-12(3-5-14)6-8-21-16-10-15-17-13(7-9-20-15)11-22-18(17)19(16)23/h2-5,10-11,21,23H,6-9H2,1H3
InChIKeyKGYLGWRLHJYOOO-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.95
Rot. Bonds5

About 10-[2-(4-methoxyphenyl)ethylamino]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol

10-[2-(4-methoxyphenyl)ethylamino]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol (PubChem CID 135955779) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 10-[2-(4-methoxyphenyl)ethylamino]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol.

Molecular Properties

Compound Name10-[2-(4-methoxyphenyl)ethylamino]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol
PubChem CID135955779
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name10-[2-(4-methoxyphenyl)ethylamino]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol
SMILESCOc1ccc(CCNc2cc3c4c(c2O)N=CC=4CCN=3)cc1
InChIInChI=1S/C19H19N3O2/c1-24-14-4-2-12(3-5-14)6-8-21-16-10-15-17-13(7-9-20-15)11-22-18(17)19(16)23/h2-5,10-11,21,23H,6-9H2,1H3
InChIKeyKGYLGWRLHJYOOO-UHFFFAOYSA-N
XLogP1.95
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 10-[2-(4-methoxyphenyl)ethylamino]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-[2-(4-methoxyphenyl)ethylamino]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol?
The IUPAC name of 10-[2-(4-methoxyphenyl)ethylamino]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol (CID 135955779) is 10-[2-(4-methoxyphenyl)ethylamino]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol.
What is the SMILES notation for 10-[2-(4-methoxyphenyl)ethylamino]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol?
The canonical SMILES for 10-[2-(4-methoxyphenyl)ethylamino]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol is COc1ccc(CCNc2cc3c4c(c2O)N=CC=4CCN=3)cc1.
What is the InChIKey of 10-[2-(4-methoxyphenyl)ethylamino]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol?
The InChIKey is KGYLGWRLHJYOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-24-14-4-2-12(3-5-14)6-8-21-16-10-15-17-13(7-9-20-15)11-22-18(17)19(16)23/h2-5,10-11,21,23H,6-9H2,1H3.
What are the key properties of 10-[2-(4-methoxyphenyl)ethylamino]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol?
10-[2-(4-methoxyphenyl)ethylamino]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol has a molecular weight of 321.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(4-methoxyphenyl)ethylamino]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol is sourced from PubChem (CID 135955779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).