(3-hydroxyphenyl)methyl-methylazanium

C8H12NO+ — CID 42282016

IUPAC(3-hydroxyphenyl)methyl-methylazanium
SMILESC[NH2+]Cc1cccc(O)c1
InChIInChI=1S/C8H11NO/c1-9-6-7-3-2-4-8(10)5-7/h2-5,9-10H,6H2,1H3/p+1
InChIKeyJVUOJMODQRWSRP-UHFFFAOYSA-O
MW138.19 g/mol
LogP0.09
Rot. Bonds2

About (3-hydroxyphenyl)methyl-methylazanium

(3-hydroxyphenyl)methyl-methylazanium (PubChem CID 42282016) has the molecular formula C8H12NO+ and a molecular weight of 138.19 g/mol. Its IUPAC name is (3-hydroxyphenyl)methyl-methylazanium.

Molecular Properties

Compound Name(3-hydroxyphenyl)methyl-methylazanium
PubChem CID42282016
Molecular FormulaC8H12NO+
Molecular Weight138.19 g/mol
Exact Mass138.09
IUPAC Name(3-hydroxyphenyl)methyl-methylazanium
SMILESC[NH2+]Cc1cccc(O)c1
InChIInChI=1S/C8H11NO/c1-9-6-7-3-2-4-8(10)5-7/h2-5,9-10H,6H2,1H3/p+1
InChIKeyJVUOJMODQRWSRP-UHFFFAOYSA-O
XLogP0.09
TPSA36.84 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 ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (3-hydroxyphenyl)methyl-methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol
CID 22070428
2-(3-hydroxyphenyl)ethanethial
CID 54574917
3-[12-(3-hydroxyphenyl)dodecyl]phenol
CID 169297924
3-ethylphenol;4-ethylphenol
CID 70541430
3-(2-methylprop-2-enyl)phenol
CID 91657296
3-(2-sulfanylpropyl)phenol
CID 115013475
bis(3-prop-2-enylphenol);zirconium(2+);dichloride
CID 174381876
phenol;3-propylphenol
CID 66960022
2-[2-(3-hydroxyphenyl)ethyl]phenol
CID 10560581
3-(2-hydroxyprop-2-enyl)phenol
CID 89392909
3-[2-[methyl(propan-2-yl)amino]ethyl]phenol
CID 167492179
3-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol
CID 82977466

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl)methyl-methylazanium?
The IUPAC name of (3-hydroxyphenyl)methyl-methylazanium (CID 42282016) is (3-hydroxyphenyl)methyl-methylazanium.
What is the SMILES notation for (3-hydroxyphenyl)methyl-methylazanium?
The canonical SMILES for (3-hydroxyphenyl)methyl-methylazanium is C[NH2+]Cc1cccc(O)c1.
What is the InChIKey of (3-hydroxyphenyl)methyl-methylazanium?
The InChIKey is JVUOJMODQRWSRP-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H11NO/c1-9-6-7-3-2-4-8(10)5-7/h2-5,9-10H,6H2,1H3/p+1.
What are the key properties of (3-hydroxyphenyl)methyl-methylazanium?
(3-hydroxyphenyl)methyl-methylazanium has a molecular weight of 138.19 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl)methyl-methylazanium is sourced from PubChem (CID 42282016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).