5-(2-aminopropan-2-yl)-7,8-dihydronaphthalen-1-ol

C13H17NO — CID 105455598

IUPAC5-(2-aminopropan-2-yl)-7,8-dihydronaphthalen-1-ol
SMILESCC(C)(N)C1=CCCc2c(O)cccc21
InChIInChI=1S/C13H17NO/c1-13(2,14)11-7-3-6-10-9(11)5-4-8-12(10)15/h4-5,7-8,15H,3,6,14H2,1-2H3
InChIKeyCYXQMTXYNCEBGE-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.46
Rot. Bonds1

About 5-(2-aminopropan-2-yl)-7,8-dihydronaphthalen-1-ol

5-(2-aminopropan-2-yl)-7,8-dihydronaphthalen-1-ol (PubChem CID 105455598) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 5-(2-aminopropan-2-yl)-7,8-dihydronaphthalen-1-ol.

Molecular Properties

Compound Name5-(2-aminopropan-2-yl)-7,8-dihydronaphthalen-1-ol
PubChem CID105455598
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name5-(2-aminopropan-2-yl)-7,8-dihydronaphthalen-1-ol
SMILESCC(C)(N)C1=CCCc2c(O)cccc21
InChIInChI=1S/C13H17NO/c1-13(2,14)11-7-3-6-10-9(11)5-4-8-12(10)15/h4-5,7-8,15H,3,6,14H2,1-2H3
InChIKeyCYXQMTXYNCEBGE-UHFFFAOYSA-N
XLogP2.46
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropan-2-yl)-7,8-dihydronaphthalen-1-ol?
The IUPAC name of 5-(2-aminopropan-2-yl)-7,8-dihydronaphthalen-1-ol (CID 105455598) is 5-(2-aminopropan-2-yl)-7,8-dihydronaphthalen-1-ol.
What is the SMILES notation for 5-(2-aminopropan-2-yl)-7,8-dihydronaphthalen-1-ol?
The canonical SMILES for 5-(2-aminopropan-2-yl)-7,8-dihydronaphthalen-1-ol is CC(C)(N)C1=CCCc2c(O)cccc21.
What is the InChIKey of 5-(2-aminopropan-2-yl)-7,8-dihydronaphthalen-1-ol?
The InChIKey is CYXQMTXYNCEBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-13(2,14)11-7-3-6-10-9(11)5-4-8-12(10)15/h4-5,7-8,15H,3,6,14H2,1-2H3.
What are the key properties of 5-(2-aminopropan-2-yl)-7,8-dihydronaphthalen-1-ol?
5-(2-aminopropan-2-yl)-7,8-dihydronaphthalen-1-ol has a molecular weight of 203.28 g/mol, XLogP of 2.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropan-2-yl)-7,8-dihydronaphthalen-1-ol is sourced from PubChem (CID 105455598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).