(2-hydroxy-1-phenylethyl)azanium

C8H12NO+ — CID 4128378

IUPAC(2-hydroxy-1-phenylethyl)azanium
SMILES[NH3+]C(CO)c1ccccc1
InChIInChI=1S/C8H11NO/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2/p+1
InChIKeyIJXJGQCXFSSHNL-UHFFFAOYSA-O
MW138.19 g/mol
LogP-0.04
Rot. Bonds2

About (2-hydroxy-1-phenylethyl)azanium

(2-hydroxy-1-phenylethyl)azanium (PubChem CID 4128378) has the molecular formula C8H12NO+ and a molecular weight of 138.19 g/mol. Its IUPAC name is (2-hydroxy-1-phenylethyl)azanium.

Molecular Properties

Compound Name(2-hydroxy-1-phenylethyl)azanium
PubChem CID4128378
Molecular FormulaC8H12NO+
Molecular Weight138.19 g/mol
Exact Mass138.09
IUPAC Name(2-hydroxy-1-phenylethyl)azanium
SMILES[NH3+]C(CO)c1ccccc1
InChIInChI=1S/C8H11NO/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2/p+1
InChIKeyIJXJGQCXFSSHNL-UHFFFAOYSA-O
XLogP-0.04
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-1-phenylethyl)azanium?
The IUPAC name of (2-hydroxy-1-phenylethyl)azanium (CID 4128378) is (2-hydroxy-1-phenylethyl)azanium.
What is the SMILES notation for (2-hydroxy-1-phenylethyl)azanium?
The canonical SMILES for (2-hydroxy-1-phenylethyl)azanium is [NH3+]C(CO)c1ccccc1.
What is the InChIKey of (2-hydroxy-1-phenylethyl)azanium?
The InChIKey is IJXJGQCXFSSHNL-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H11NO/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2/p+1.
What are the key properties of (2-hydroxy-1-phenylethyl)azanium?
(2-hydroxy-1-phenylethyl)azanium has a molecular weight of 138.19 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-1-phenylethyl)azanium is sourced from PubChem (CID 4128378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).