4b-amino-8,8a,9,10-tetrahydro-5H-phenanthren-3-ol

C14H17NO — CID 19106988

IUPAC4b-amino-8,8a,9,10-tetrahydro-5H-phenanthren-3-ol
SMILESNC12CC=CCC1CCc1ccc(O)cc12
InChIInChI=1S/C14H17NO/c15-14-8-2-1-3-11(14)6-4-10-5-7-12(16)9-13(10)14/h1-2,5,7,9,11,16H,3-4,6,8,15H2
InChIKeyRCQVOQLTSIQULP-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.46
Rot. Bonds

About 4b-amino-8,8a,9,10-tetrahydro-5H-phenanthren-3-ol

4b-amino-8,8a,9,10-tetrahydro-5H-phenanthren-3-ol (PubChem CID 19106988) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 4b-amino-8,8a,9,10-tetrahydro-5H-phenanthren-3-ol.

Molecular Properties

Compound Name4b-amino-8,8a,9,10-tetrahydro-5H-phenanthren-3-ol
PubChem CID19106988
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name4b-amino-8,8a,9,10-tetrahydro-5H-phenanthren-3-ol
SMILESNC12CC=CCC1CCc1ccc(O)cc12
InChIInChI=1S/C14H17NO/c15-14-8-2-1-3-11(14)6-4-10-5-7-12(16)9-13(10)14/h1-2,5,7,9,11,16H,3-4,6,8,15H2
InChIKeyRCQVOQLTSIQULP-UHFFFAOYSA-N
XLogP2.46
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4b-amino-8,8a,9,10-tetrahydro-5H-phenanthren-3-ol?
The IUPAC name of 4b-amino-8,8a,9,10-tetrahydro-5H-phenanthren-3-ol (CID 19106988) is 4b-amino-8,8a,9,10-tetrahydro-5H-phenanthren-3-ol.
What is the SMILES notation for 4b-amino-8,8a,9,10-tetrahydro-5H-phenanthren-3-ol?
The canonical SMILES for 4b-amino-8,8a,9,10-tetrahydro-5H-phenanthren-3-ol is NC12CC=CCC1CCc1ccc(O)cc12.
What is the InChIKey of 4b-amino-8,8a,9,10-tetrahydro-5H-phenanthren-3-ol?
The InChIKey is RCQVOQLTSIQULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c15-14-8-2-1-3-11(14)6-4-10-5-7-12(16)9-13(10)14/h1-2,5,7,9,11,16H,3-4,6,8,15H2.
What are the key properties of 4b-amino-8,8a,9,10-tetrahydro-5H-phenanthren-3-ol?
4b-amino-8,8a,9,10-tetrahydro-5H-phenanthren-3-ol has a molecular weight of 215.30 g/mol, XLogP of 2.46, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4b-amino-8,8a,9,10-tetrahydro-5H-phenanthren-3-ol is sourced from PubChem (CID 19106988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).