4b-amino-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-ol

C14H19NO — CID 19107031

IUPAC4b-amino-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-ol
SMILESNC12CCCCC1CCc1ccc(O)cc12
InChIInChI=1S/C14H19NO/c15-14-8-2-1-3-11(14)6-4-10-5-7-12(16)9-13(10)14/h5,7,9,11,16H,1-4,6,8,15H2
InChIKeyBVENLBFYZBQGMM-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.68
Rot. Bonds

About 4b-amino-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-ol

4b-amino-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-ol (PubChem CID 19107031) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4b-amino-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-ol.

Molecular Properties

Compound Name4b-amino-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-ol
PubChem CID19107031
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4b-amino-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-ol
SMILESNC12CCCCC1CCc1ccc(O)cc12
InChIInChI=1S/C14H19NO/c15-14-8-2-1-3-11(14)6-4-10-5-7-12(16)9-13(10)14/h5,7,9,11,16H,1-4,6,8,15H2
InChIKeyBVENLBFYZBQGMM-UHFFFAOYSA-N
XLogP2.68
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4b-amino-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-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 4b-amino-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-ol?
The IUPAC name of 4b-amino-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-ol (CID 19107031) is 4b-amino-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-ol.
What is the SMILES notation for 4b-amino-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-ol?
The canonical SMILES for 4b-amino-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-ol is NC12CCCCC1CCc1ccc(O)cc12.
What is the InChIKey of 4b-amino-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-ol?
The InChIKey is BVENLBFYZBQGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c15-14-8-2-1-3-11(14)6-4-10-5-7-12(16)9-13(10)14/h5,7,9,11,16H,1-4,6,8,15H2.
What are the key properties of 4b-amino-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-ol?
4b-amino-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-ol has a molecular weight of 217.31 g/mol, XLogP of 2.68, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4b-amino-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-ol is sourced from PubChem (CID 19107031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).