(2-hydroxy-2-phenylethyl)-methylazanium

C9H14NO+ — CID 25203440

IUPAC(2-hydroxy-2-phenylethyl)-methylazanium
SMILESC[NH2+]CC(O)c1ccccc1
InChIInChI=1S/C9H13NO/c1-10-7-9(11)8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3/p+1
InChIKeyZCTYHONEGJTYQV-UHFFFAOYSA-O
MW152.22 g/mol
LogP-0.09
Rot. Bonds3

About (2-hydroxy-2-phenylethyl)-methylazanium

(2-hydroxy-2-phenylethyl)-methylazanium (PubChem CID 25203440) has the molecular formula C9H14NO+ and a molecular weight of 152.22 g/mol. Its IUPAC name is (2-hydroxy-2-phenylethyl)-methylazanium.

Molecular Properties

Compound Name(2-hydroxy-2-phenylethyl)-methylazanium
PubChem CID25203440
Molecular FormulaC9H14NO+
Molecular Weight152.22 g/mol
Exact Mass152.11
IUPAC Name(2-hydroxy-2-phenylethyl)-methylazanium
SMILESC[NH2+]CC(O)c1ccccc1
InChIInChI=1S/C9H13NO/c1-10-7-9(11)8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3/p+1
InChIKeyZCTYHONEGJTYQV-UHFFFAOYSA-O
XLogP-0.09
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-2-phenylethyl)-methylazanium?
The IUPAC name of (2-hydroxy-2-phenylethyl)-methylazanium (CID 25203440) is (2-hydroxy-2-phenylethyl)-methylazanium.
What is the SMILES notation for (2-hydroxy-2-phenylethyl)-methylazanium?
The canonical SMILES for (2-hydroxy-2-phenylethyl)-methylazanium is C[NH2+]CC(O)c1ccccc1.
What is the InChIKey of (2-hydroxy-2-phenylethyl)-methylazanium?
The InChIKey is ZCTYHONEGJTYQV-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H13NO/c1-10-7-9(11)8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3/p+1.
What are the key properties of (2-hydroxy-2-phenylethyl)-methylazanium?
(2-hydroxy-2-phenylethyl)-methylazanium has a molecular weight of 152.22 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-2-phenylethyl)-methylazanium is sourced from PubChem (CID 25203440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).