3-(6-bromo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl)propan-1-ol

C14H16BrNO — CID 101477129

IUPAC3-(6-bromo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl)propan-1-ol
SMILESOCCCc1cc2cc(Br)cc3c2n1CCC3
InChIInChI=1S/C14H16BrNO/c15-12-7-10-3-1-5-16-13(4-2-6-17)9-11(8-12)14(10)16/h7-9,17H,1-6H2
InChIKeyGRWBBQKAYSRHFW-UHFFFAOYSA-N
MW294.19 g/mol
LogP3.27
Rot. Bonds3

About 3-(6-bromo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl)propan-1-ol

3-(6-bromo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl)propan-1-ol (PubChem CID 101477129) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is 3-(6-bromo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(6-bromo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl)propan-1-ol
PubChem CID101477129
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name3-(6-bromo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl)propan-1-ol
SMILESOCCCc1cc2cc(Br)cc3c2n1CCC3
InChIInChI=1S/C14H16BrNO/c15-12-7-10-3-1-5-16-13(4-2-6-17)9-11(8-12)14(10)16/h7-9,17H,1-6H2
InChIKeyGRWBBQKAYSRHFW-UHFFFAOYSA-N
XLogP3.27
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(6-bromo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl)propan-1-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 3-(6-bromo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl)propan-1-ol?
The IUPAC name of 3-(6-bromo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl)propan-1-ol (CID 101477129) is 3-(6-bromo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl)propan-1-ol.
What is the SMILES notation for 3-(6-bromo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl)propan-1-ol?
The canonical SMILES for 3-(6-bromo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl)propan-1-ol is OCCCc1cc2cc(Br)cc3c2n1CCC3.
What is the InChIKey of 3-(6-bromo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl)propan-1-ol?
The InChIKey is GRWBBQKAYSRHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c15-12-7-10-3-1-5-16-13(4-2-6-17)9-11(8-12)14(10)16/h7-9,17H,1-6H2.
What are the key properties of 3-(6-bromo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl)propan-1-ol?
3-(6-bromo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl)propan-1-ol has a molecular weight of 294.19 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl)propan-1-ol is sourced from PubChem (CID 101477129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).