5-(2-aminoethyl)-2-methoxyphenol chloride

C9H13ClNO2- — CID 53313231

IUPAC5-(2-aminoethyl)-2-methoxyphenol chloride
SMILESCOc1ccc(CCN)cc1O.[Cl-]
InChIInChI=1S/C9H13NO2.ClH/c1-12-9-3-2-7(4-5-10)6-8(9)11;/h2-3,6,11H,4-5,10H2,1H3;1H/p-1
InChIKeyKAAFITWSSODFMA-UHFFFAOYSA-M
MW202.66 g/mol
LogP-2.09
Rot. Bonds3

About 5-(2-aminoethyl)-2-methoxyphenol chloride

5-(2-aminoethyl)-2-methoxyphenol chloride (PubChem CID 53313231) has the molecular formula C9H13ClNO2- and a molecular weight of 202.66 g/mol. Its IUPAC name is 5-(2-aminoethyl)-2-methoxyphenol chloride.

Molecular Properties

Compound Name5-(2-aminoethyl)-2-methoxyphenol chloride
PubChem CID53313231
Molecular FormulaC9H13ClNO2-
Molecular Weight202.66 g/mol
Exact Mass202.06
IUPAC Name5-(2-aminoethyl)-2-methoxyphenol chloride
SMILESCOc1ccc(CCN)cc1O.[Cl-]
InChIInChI=1S/C9H13NO2.ClH/c1-12-9-3-2-7(4-5-10)6-8(9)11;/h2-3,6,11H,4-5,10H2,1H3;1H/p-1
InChIKeyKAAFITWSSODFMA-UHFFFAOYSA-M
XLogP-2.09
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 5-2.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(2-aminoethyl)-2-methoxyphenol chloride 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

5-(3-aminopropyl)-2-methoxyphenol
CID 55265877
5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
CID 57066187
5-(aminomethyl)-2-methoxyphenol
CID 1132998
5-(2-aminoethyl)-2-(2-hydroxyphenyl)peroxyphenol
CID 154990277
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
1,7-bis(3-hydroxy-4-methoxyphenyl)heptane-3,5-dione
CID 22501459
5-(2-hydroxyethyl)-2-methoxyphenol;2-(4-methoxy-3-methylphenyl)ethanol
CID 167594575
ethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate
CID 10867928
2-(3-methoxy-4-methylphenyl)ethanamine
CID 13015320
(3-hydroxy-4-methoxyphenyl)methyl-methylazanium
CID 7298318
4-[(2S)-2-amino-2-tritioethyl]-2-methoxyphenol
CID 10845923
2-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine
CID 55253717

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-2-methoxyphenol chloride?
The IUPAC name of 5-(2-aminoethyl)-2-methoxyphenol chloride (CID 53313231) is 5-(2-aminoethyl)-2-methoxyphenol chloride.
What is the SMILES notation for 5-(2-aminoethyl)-2-methoxyphenol chloride?
The canonical SMILES for 5-(2-aminoethyl)-2-methoxyphenol chloride is COc1ccc(CCN)cc1O.[Cl-].
What is the InChIKey of 5-(2-aminoethyl)-2-methoxyphenol chloride?
The InChIKey is KAAFITWSSODFMA-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H13NO2.ClH/c1-12-9-3-2-7(4-5-10)6-8(9)11;/h2-3,6,11H,4-5,10H2,1H3;1H/p-1.
What are the key properties of 5-(2-aminoethyl)-2-methoxyphenol chloride?
5-(2-aminoethyl)-2-methoxyphenol chloride has a molecular weight of 202.66 g/mol, XLogP of -2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-2-methoxyphenol chloride is sourced from PubChem (CID 53313231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).