4-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylbutan-2-ol

C15H23NO2 — CID 79360240

IUPAC4-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylbutan-2-ol
SMILESCC(C)(O)CCOc1cccc2c1CCCC2N
InChIInChI=1S/C15H23NO2/c1-15(2,17)9-10-18-14-8-4-5-11-12(14)6-3-7-13(11)16/h4-5,8,13,17H,3,6-7,9-10,16H2,1-2H3
InChIKeyVDIXFSXBMRUDKE-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.56
Rot. Bonds4

About 4-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylbutan-2-ol

4-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylbutan-2-ol (PubChem CID 79360240) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylbutan-2-ol
PubChem CID79360240
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylbutan-2-ol
SMILESCC(C)(O)CCOc1cccc2c1CCCC2N
InChIInChI=1S/C15H23NO2/c1-15(2,17)9-10-18-14-8-4-5-11-12(14)6-3-7-13(11)16/h4-5,8,13,17H,3,6-7,9-10,16H2,1-2H3
InChIKeyVDIXFSXBMRUDKE-UHFFFAOYSA-N
XLogP2.56
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylbutan-2-ol?
The IUPAC name of 4-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylbutan-2-ol (CID 79360240) is 4-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylbutan-2-ol?
The canonical SMILES for 4-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylbutan-2-ol is CC(C)(O)CCOc1cccc2c1CCCC2N.
What is the InChIKey of 4-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylbutan-2-ol?
The InChIKey is VDIXFSXBMRUDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-15(2,17)9-10-18-14-8-4-5-11-12(14)6-3-7-13(11)16/h4-5,8,13,17H,3,6-7,9-10,16H2,1-2H3.
What are the key properties of 4-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylbutan-2-ol?
4-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylbutan-2-ol has a molecular weight of 249.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylbutan-2-ol is sourced from PubChem (CID 79360240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).