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

C15H21NO — CID 23274491

IUPAC4b-(methylamino)-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-ol
SMILESCNC12CCCCC1CCc1ccc(O)cc12
InChIInChI=1S/C15H21NO/c1-16-15-9-3-2-4-12(15)7-5-11-6-8-13(17)10-14(11)15/h6,8,10,12,16-17H,2-5,7,9H2,1H3
InChIKeyNUNUKMHQMWIAIX-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.94
Rot. Bonds1

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

4b-(methylamino)-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-ol (PubChem CID 23274491) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 4b-(methylamino)-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-ol.

Molecular Properties

Compound Name4b-(methylamino)-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-ol
PubChem CID23274491
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name4b-(methylamino)-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-ol
SMILESCNC12CCCCC1CCc1ccc(O)cc12
InChIInChI=1S/C15H21NO/c1-16-15-9-3-2-4-12(15)7-5-11-6-8-13(17)10-14(11)15/h6,8,10,12,16-17H,2-5,7,9H2,1H3
InChIKeyNUNUKMHQMWIAIX-UHFFFAOYSA-N
XLogP2.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4b-(methylamino)-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-ol?
The IUPAC name of 4b-(methylamino)-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-ol (CID 23274491) is 4b-(methylamino)-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-ol.
What is the SMILES notation for 4b-(methylamino)-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-ol?
The canonical SMILES for 4b-(methylamino)-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-ol is CNC12CCCCC1CCc1ccc(O)cc12.
What is the InChIKey of 4b-(methylamino)-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-ol?
The InChIKey is NUNUKMHQMWIAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-16-15-9-3-2-4-12(15)7-5-11-6-8-13(17)10-14(11)15/h6,8,10,12,16-17H,2-5,7,9H2,1H3.
What are the key properties of 4b-(methylamino)-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-ol?
4b-(methylamino)-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-ol has a molecular weight of 231.34 g/mol, XLogP of 2.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4b-(methylamino)-6,7,8,8a,9,10-hexahydro-5H-phenanthren-3-ol is sourced from PubChem (CID 23274491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).