2-(4-hydroxy-3-methoxyphenyl)ethylazanium

C9H14NO2+ — CID 6927014

IUPAC2-(4-hydroxy-3-methoxyphenyl)ethylazanium
SMILESCOc1cc(CC[NH3+])ccc1O
InChIInChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3/p+1
InChIKeyDIVQKHQLANKJQO-UHFFFAOYSA-O
MW168.22 g/mol
LogP0.19
Rot. Bonds3

About 2-(4-hydroxy-3-methoxyphenyl)ethylazanium

2-(4-hydroxy-3-methoxyphenyl)ethylazanium (PubChem CID 6927014) has the molecular formula C9H14NO2+ and a molecular weight of 168.22 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methoxyphenyl)ethylazanium.

Molecular Properties

Compound Name2-(4-hydroxy-3-methoxyphenyl)ethylazanium
PubChem CID6927014
Molecular FormulaC9H14NO2+
Molecular Weight168.22 g/mol
Exact Mass168.10
IUPAC Name2-(4-hydroxy-3-methoxyphenyl)ethylazanium
SMILESCOc1cc(CC[NH3+])ccc1O
InChIInChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3/p+1
InChIKeyDIVQKHQLANKJQO-UHFFFAOYSA-O
XLogP0.19
TPSA57.10 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 ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-hydroxy-3-methoxyphenyl)methylazanium chloride
CID 11745412
ethane;2-methoxy-4-propylphenol
CID 144852330
4-[(2S)-2-amino-2-tritioethyl]-2-methoxyphenol
CID 10845923
4-(4-hydroxy-3-methoxyphenyl)butanenitrile
CID 53434569
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol
CID 22599015
4-(iodomethyl)-2-methoxyphenol
CID 15255516
4-(fluoromethyl)-2-methoxyphenol
CID 84650348
2-(3-hydroxy-4,5-dimethoxyphenyl)ethylazanium
CID 86311037
4-(3-ethylpentyl)-2-methoxyphenol
CID 142654270
tris(2-methoxy-4-propylphenol);phosphoric acid
CID 71328492
CID 175936648
CID 175936648
(3R,5R)-1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol
CID 10883331

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)ethylazanium?
The IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)ethylazanium (CID 6927014) is 2-(4-hydroxy-3-methoxyphenyl)ethylazanium.
What is the SMILES notation for 2-(4-hydroxy-3-methoxyphenyl)ethylazanium?
The canonical SMILES for 2-(4-hydroxy-3-methoxyphenyl)ethylazanium is COc1cc(CC[NH3+])ccc1O.
What is the InChIKey of 2-(4-hydroxy-3-methoxyphenyl)ethylazanium?
The InChIKey is DIVQKHQLANKJQO-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3/p+1.
What are the key properties of 2-(4-hydroxy-3-methoxyphenyl)ethylazanium?
2-(4-hydroxy-3-methoxyphenyl)ethylazanium has a molecular weight of 168.22 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methoxyphenyl)ethylazanium is sourced from PubChem (CID 6927014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).