(3-hydroxy-4-methoxyphenyl)methyl-methylazanium

C9H14NO2+ — CID 7298318

IUPAC(3-hydroxy-4-methoxyphenyl)methyl-methylazanium
SMILESC[NH2+]Cc1ccc(OC)c(O)c1
InChIInChI=1S/C9H13NO2/c1-10-6-7-3-4-9(12-2)8(11)5-7/h3-5,10-11H,6H2,1-2H3/p+1
InChIKeyWOVANLRZNKFUQE-UHFFFAOYSA-O
MW168.22 g/mol
LogP0.09
Rot. Bonds3

About (3-hydroxy-4-methoxyphenyl)methyl-methylazanium

(3-hydroxy-4-methoxyphenyl)methyl-methylazanium (PubChem CID 7298318) has the molecular formula C9H14NO2+ and a molecular weight of 168.22 g/mol. Its IUPAC name is (3-hydroxy-4-methoxyphenyl)methyl-methylazanium.

Molecular Properties

Compound Name(3-hydroxy-4-methoxyphenyl)methyl-methylazanium
PubChem CID7298318
Molecular FormulaC9H14NO2+
Molecular Weight168.22 g/mol
Exact Mass168.10
IUPAC Name(3-hydroxy-4-methoxyphenyl)methyl-methylazanium
SMILESC[NH2+]Cc1ccc(OC)c(O)c1
InChIInChI=1S/C9H13NO2/c1-10-6-7-3-4-9(12-2)8(11)5-7/h3-5,10-11H,6H2,1-2H3/p+1
InChIKeyWOVANLRZNKFUQE-UHFFFAOYSA-O
XLogP0.09
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dihydroxyethyl-[(3-hydroxy-4-methoxyphenyl)methyl]azanium
CID 7055966
5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
CID 57066187
5-(aminomethyl)-2-methoxyphenol
CID 1132998
(3-hydroxy-4-methoxyphenyl)methyl-methylazanide
CID 59297645
5-(2-aminoethyl)-2-methoxyphenol chloride
CID 53313231
5-(3-aminopropyl)-2-methoxyphenol
CID 55265877
5-(cyclopropylmethyl)-2-methoxyphenol
CID 115015182
(3-hydroxy-4-methoxyphenyl)methylphosphonic acid
CID 20634483
5-[2-[1-(3-hydroxy-4-methoxyphenyl)propan-2-yloxy]propyl]-2-methoxyphenol
CID 139528672
5-(2-hydroxyethyl)-2-methoxyphenol;2-(4-methoxy-3-methylphenyl)ethanol
CID 167594575
1,7-bis(3-hydroxy-4-methoxyphenyl)heptane-3,5-dione
CID 22501459
3-(3-hydroxy-4-methoxyphenyl)-2-methylpropanal
CID 83830640

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-methoxyphenyl)methyl-methylazanium?
The IUPAC name of (3-hydroxy-4-methoxyphenyl)methyl-methylazanium (CID 7298318) is (3-hydroxy-4-methoxyphenyl)methyl-methylazanium.
What is the SMILES notation for (3-hydroxy-4-methoxyphenyl)methyl-methylazanium?
The canonical SMILES for (3-hydroxy-4-methoxyphenyl)methyl-methylazanium is C[NH2+]Cc1ccc(OC)c(O)c1.
What is the InChIKey of (3-hydroxy-4-methoxyphenyl)methyl-methylazanium?
The InChIKey is WOVANLRZNKFUQE-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H13NO2/c1-10-6-7-3-4-9(12-2)8(11)5-7/h3-5,10-11H,6H2,1-2H3/p+1.
What are the key properties of (3-hydroxy-4-methoxyphenyl)methyl-methylazanium?
(3-hydroxy-4-methoxyphenyl)methyl-methylazanium has a molecular weight of 168.22 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-methoxyphenyl)methyl-methylazanium is sourced from PubChem (CID 7298318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).