6-(2-amino-2-adamantyl)naphthalen-2-ol

C20H23NO — CID 59052121

IUPAC6-(2-amino-2-adamantyl)naphthalen-2-ol
SMILESNC1(c2ccc3cc(O)ccc3c2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H23NO/c21-20(17-6-12-5-13(8-17)9-18(20)7-12)16-3-1-15-11-19(22)4-2-14(15)10-16/h1-4,10-13,17-18,22H,5-9,21H2
InChIKeyGLMATJZLDDJEMF-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.16
Rot. Bonds1

About 6-(2-amino-2-adamantyl)naphthalen-2-ol

6-(2-amino-2-adamantyl)naphthalen-2-ol (PubChem CID 59052121) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 6-(2-amino-2-adamantyl)naphthalen-2-ol.

Molecular Properties

Compound Name6-(2-amino-2-adamantyl)naphthalen-2-ol
PubChem CID59052121
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name6-(2-amino-2-adamantyl)naphthalen-2-ol
SMILESNC1(c2ccc3cc(O)ccc3c2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H23NO/c21-20(17-6-12-5-13(8-17)9-18(20)7-12)16-3-1-15-11-19(22)4-2-14(15)10-16/h1-4,10-13,17-18,22H,5-9,21H2
InChIKeyGLMATJZLDDJEMF-UHFFFAOYSA-N
XLogP4.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-2-adamantyl)naphthalen-2-ol?
The IUPAC name of 6-(2-amino-2-adamantyl)naphthalen-2-ol (CID 59052121) is 6-(2-amino-2-adamantyl)naphthalen-2-ol.
What is the SMILES notation for 6-(2-amino-2-adamantyl)naphthalen-2-ol?
The canonical SMILES for 6-(2-amino-2-adamantyl)naphthalen-2-ol is NC1(c2ccc3cc(O)ccc3c2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 6-(2-amino-2-adamantyl)naphthalen-2-ol?
The InChIKey is GLMATJZLDDJEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c21-20(17-6-12-5-13(8-17)9-18(20)7-12)16-3-1-15-11-19(22)4-2-14(15)10-16/h1-4,10-13,17-18,22H,5-9,21H2.
What are the key properties of 6-(2-amino-2-adamantyl)naphthalen-2-ol?
6-(2-amino-2-adamantyl)naphthalen-2-ol has a molecular weight of 293.41 g/mol, XLogP of 4.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-2-adamantyl)naphthalen-2-ol is sourced from PubChem (CID 59052121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).