(2-hydroxyphenyl)methyl-methylazanium

C8H12NO+ — CID 36689670

IUPAC(2-hydroxyphenyl)methyl-methylazanium
SMILESC[NH2+]Cc1ccccc1O
InChIInChI=1S/C8H11NO/c1-9-6-7-4-2-3-5-8(7)10/h2-5,9-10H,6H2,1H3/p+1
InChIKeyPVFSNBPKQDSTPP-UHFFFAOYSA-O
MW138.19 g/mol
LogP0.09
Rot. Bonds2

About (2-hydroxyphenyl)methyl-methylazanium

(2-hydroxyphenyl)methyl-methylazanium (PubChem CID 36689670) has the molecular formula C8H12NO+ and a molecular weight of 138.19 g/mol. Its IUPAC name is (2-hydroxyphenyl)methyl-methylazanium.

Molecular Properties

Compound Name(2-hydroxyphenyl)methyl-methylazanium
PubChem CID36689670
Molecular FormulaC8H12NO+
Molecular Weight138.19 g/mol
Exact Mass138.09
IUPAC Name(2-hydroxyphenyl)methyl-methylazanium
SMILESC[NH2+]Cc1ccccc1O
InChIInChI=1S/C8H11NO/c1-9-6-7-4-2-3-5-8(7)10/h2-5,9-10H,6H2,1H3/p+1
InChIKeyPVFSNBPKQDSTPP-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(2-hydroxyphenyl)methylazaniumyl]ethyl-dimethylazanium
CID 7324401
benzene;2-ethylphenol
CID 159726745
CID 175749710
CID 175749710
magnesium;2-ethylphenol;chloride
CID 173391731
2-(hydroxymethyl)phenol;methane
CID 157439231
(2-hydroxyphenyl)methylazanium
CID 6930904
CID 147052016
CID 147052016
CID 137424646
CID 137424646
2-(chlorophosphanylmethyl)phenol
CID 19104603
2-ethylphenol;N-methylmethanamine
CID 118325670
2-(ethylaminomethyl)phenol
CID 12995218
2-benzylphenol;ethane
CID 91068983

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)methyl-methylazanium?
The IUPAC name of (2-hydroxyphenyl)methyl-methylazanium (CID 36689670) is (2-hydroxyphenyl)methyl-methylazanium.
What is the SMILES notation for (2-hydroxyphenyl)methyl-methylazanium?
The canonical SMILES for (2-hydroxyphenyl)methyl-methylazanium is C[NH2+]Cc1ccccc1O.
What is the InChIKey of (2-hydroxyphenyl)methyl-methylazanium?
The InChIKey is PVFSNBPKQDSTPP-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H11NO/c1-9-6-7-4-2-3-5-8(7)10/h2-5,9-10H,6H2,1H3/p+1.
What are the key properties of (2-hydroxyphenyl)methyl-methylazanium?
(2-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 (2-hydroxyphenyl)methyl-methylazanium is sourced from PubChem (CID 36689670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).