[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium

C10H16NO3+ — CID 23238192

IUPAC[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium
SMILESCOc1ccc(OC)c(C(O)C[NH3+])c1
InChIInChI=1S/C10H15NO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5,9,12H,6,11H2,1-2H3/p+1
InChIKeyVFRCNXKYZVQYLX-UHFFFAOYSA-O
MW198.24 g/mol
LogP-0.02
Rot. Bonds4

About [2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium

[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium (PubChem CID 23238192) has the molecular formula C10H16NO3+ and a molecular weight of 198.24 g/mol. Its IUPAC name is [2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium.

Molecular Properties

Compound Name[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium
PubChem CID23238192
Molecular FormulaC10H16NO3+
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium
SMILESCOc1ccc(OC)c(C(O)C[NH3+])c1
InChIInChI=1S/C10H15NO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5,9,12H,6,11H2,1-2H3/p+1
InChIKeyVFRCNXKYZVQYLX-UHFFFAOYSA-O
XLogP-0.02
TPSA66.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
1-(2,5-dimethoxyphenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027520
amino-(2,5-dimethoxyphenyl)methanol
CID 116939586
4-(2,5-dimethoxyphenyl)-4-hydroxybutanoic acid
CID 6493924
1-(2,5-dimethoxyphenyl)-2-[2-(2-methylpropoxy)ethoxy]ethanol
CID 106448693
3-amino-1-(2,5-dimethoxyphenyl)-4-methoxybutan-1-ol
CID 112629921
(2S,3S)-3-(2,5-dimethoxyphenyl)butan-2-ol
CID 10420642
1-(2,5-dimethoxyphenyl)butane-1,2-diol
CID 103454612
1-(5-ethoxy-2-methoxyphenyl)propan-1-ol
CID 82265613
2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethoxyphenyl)ethanol
CID 79699012
1-(2,5-dimethoxyphenyl)-2-[ethyl(2-methylpropyl)amino]ethanol
CID 60969431
1-(2,5-dimethoxyphenyl)-3,5,5-trimethylhexan-1-ol
CID 61101083

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium?
The IUPAC name of [2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium (CID 23238192) is [2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium.
What is the SMILES notation for [2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium?
The canonical SMILES for [2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium is COc1ccc(OC)c(C(O)C[NH3+])c1.
What is the InChIKey of [2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium?
The InChIKey is VFRCNXKYZVQYLX-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H15NO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5,9,12H,6,11H2,1-2H3/p+1.
What are the key properties of [2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium?
[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium has a molecular weight of 198.24 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium is sourced from PubChem (CID 23238192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).