1-(naphthalen-1-ylmethyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol

C20H25NO — CID 53271421

IUPAC1-(naphthalen-1-ylmethyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
SMILESOC12CCCCC1C(Cc1cccc3ccccc13)NCC2
InChIInChI=1S/C20H25NO/c22-20-11-4-3-10-18(20)19(21-13-12-20)14-16-8-5-7-15-6-1-2-9-17(15)16/h1-2,5-9,18-19,21-22H,3-4,10-14H2
InChIKeyLTYDIICVCLDFIH-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.67
Rot. Bonds2

About 1-(naphthalen-1-ylmethyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol

1-(naphthalen-1-ylmethyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol (PubChem CID 53271421) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
PubChem CID53271421
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name1-(naphthalen-1-ylmethyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
SMILESOC12CCCCC1C(Cc1cccc3ccccc13)NCC2
InChIInChI=1S/C20H25NO/c22-20-11-4-3-10-18(20)19(21-13-12-20)14-16-8-5-7-15-6-1-2-9-17(15)16/h1-2,5-9,18-19,21-22H,3-4,10-14H2
InChIKeyLTYDIICVCLDFIH-UHFFFAOYSA-N
XLogP3.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol?
The IUPAC name of 1-(naphthalen-1-ylmethyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol (CID 53271421) is 1-(naphthalen-1-ylmethyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol.
What is the SMILES notation for 1-(naphthalen-1-ylmethyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol?
The canonical SMILES for 1-(naphthalen-1-ylmethyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol is OC12CCCCC1C(Cc1cccc3ccccc13)NCC2.
What is the InChIKey of 1-(naphthalen-1-ylmethyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol?
The InChIKey is LTYDIICVCLDFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c22-20-11-4-3-10-18(20)19(21-13-12-20)14-16-8-5-7-15-6-1-2-9-17(15)16/h1-2,5-9,18-19,21-22H,3-4,10-14H2.
What are the key properties of 1-(naphthalen-1-ylmethyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol?
1-(naphthalen-1-ylmethyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol has a molecular weight of 295.43 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol is sourced from PubChem (CID 53271421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).