[2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-propan-2-ylazanium chloride

C15H24ClNO — CID 26691

IUPAC[2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-propan-2-ylazanium chloride
SMILESCC(C)[NH2+]CC(O)C1CCc2ccccc2C1.[Cl-]
InChIInChI=1S/C15H23NO.ClH/c1-11(2)16-10-15(17)14-8-7-12-5-3-4-6-13(12)9-14;/h3-6,11,14-17H,7-10H2,1-2H3;1H
InChIKeyJWAPCLSDXWURHJ-UHFFFAOYSA-N
MW269.82 g/mol
LogP-1.87
Rot. Bonds4

About [2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-propan-2-ylazanium chloride

[2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-propan-2-ylazanium chloride (PubChem CID 26691) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is [2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-propan-2-ylazanium chloride.

Molecular Properties

Compound Name[2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-propan-2-ylazanium chloride
PubChem CID26691
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name[2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-propan-2-ylazanium chloride
SMILESCC(C)[NH2+]CC(O)C1CCc2ccccc2C1.[Cl-]
InChIInChI=1S/C15H23NO.ClH/c1-11(2)16-10-15(17)14-8-7-12-5-3-4-6-13(12)9-14;/h3-6,11,14-17H,7-10H2,1-2H3;1H
InChIKeyJWAPCLSDXWURHJ-UHFFFAOYSA-N
XLogP-1.87
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 5-1.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-propan-2-ylazanium chloride?
The IUPAC name of [2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-propan-2-ylazanium chloride (CID 26691) is [2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-propan-2-ylazanium chloride.
What is the SMILES notation for [2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-propan-2-ylazanium chloride?
The canonical SMILES for [2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-propan-2-ylazanium chloride is CC(C)[NH2+]CC(O)C1CCc2ccccc2C1.[Cl-].
What is the InChIKey of [2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-propan-2-ylazanium chloride?
The InChIKey is JWAPCLSDXWURHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.ClH/c1-11(2)16-10-15(17)14-8-7-12-5-3-4-6-13(12)9-14;/h3-6,11,14-17H,7-10H2,1-2H3;1H.
What are the key properties of [2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-propan-2-ylazanium chloride?
[2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-propan-2-ylazanium chloride has a molecular weight of 269.82 g/mol, XLogP of -1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]-propan-2-ylazanium chloride is sourced from PubChem (CID 26691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).