2-(2,3-dimethylphenoxy)-N-ethylethanamine;hydrochloride

C12H20ClNO — CID 75531600

IUPAC2-(2,3-dimethylphenoxy)-N-ethylethanamine;hydrochloride
SMILESCCNCCOc1cccc(C)c1C.Cl
InChIInChI=1S/C12H19NO.ClH/c1-4-13-8-9-14-12-7-5-6-10(2)11(12)3;/h5-7,13H,4,8-9H2,1-3H3;1H
InChIKeyMNPLMDZUBJAPHG-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.71
Rot. Bonds5

About 2-(2,3-dimethylphenoxy)-N-ethylethanamine;hydrochloride

2-(2,3-dimethylphenoxy)-N-ethylethanamine;hydrochloride (PubChem CID 75531600) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-ethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-ethylethanamine;hydrochloride
PubChem CID75531600
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC Name2-(2,3-dimethylphenoxy)-N-ethylethanamine;hydrochloride
SMILESCCNCCOc1cccc(C)c1C.Cl
InChIInChI=1S/C12H19NO.ClH/c1-4-13-8-9-14-12-7-5-6-10(2)11(12)3;/h5-7,13H,4,8-9H2,1-3H3;1H
InChIKeyMNPLMDZUBJAPHG-UHFFFAOYSA-N
XLogP2.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,3-dimethylphenoxy)ethoxy]-N-ethylethanamine
CID 82353922
N'-[2-(2,3-dimethylphenoxy)ethyl]propane-1,3-diamine
CID 82339438
2-[3-(2,3-dimethylphenoxy)propylamino]ethanol
CID 2249838
N-(cyclopentylmethyl)-2-(2,3-dimethylphenoxy)ethanamine
CID 62572121
N-ethyl-2-(2-propoxyphenoxy)ethanamine
CID 6459111
N-ethyl-2-[3-(2-methylphenoxy)propoxy]ethanamine
CID 82353873
N-[2-(2,3-dimethylphenoxy)ethyl]-4-fluoroaniline
CID 55088214
N-[2-(2,3-dimethylphenoxy)ethyl]propane-1-sulfonamide
CID 113100955
ethyl N-[2-(2,3-dimethylphenoxy)ethyl]carbamate
CID 113100948
N-ethyl-5-(2-methylphenoxy)pentan-1-amine
CID 62452397
2-(4-bromo-2,3-dimethylphenoxy)-N-ethylethanamine
CID 39290016
5-(2,3-dimethylphenoxy)-N-methylpentan-1-amine
CID 62455061

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-ethylethanamine;hydrochloride?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-ethylethanamine;hydrochloride (CID 75531600) is 2-(2,3-dimethylphenoxy)-N-ethylethanamine;hydrochloride.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-ethylethanamine;hydrochloride?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-ethylethanamine;hydrochloride is CCNCCOc1cccc(C)c1C.Cl.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-ethylethanamine;hydrochloride?
The InChIKey is MNPLMDZUBJAPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.ClH/c1-4-13-8-9-14-12-7-5-6-10(2)11(12)3;/h5-7,13H,4,8-9H2,1-3H3;1H.
What are the key properties of 2-(2,3-dimethylphenoxy)-N-ethylethanamine;hydrochloride?
2-(2,3-dimethylphenoxy)-N-ethylethanamine;hydrochloride has a molecular weight of 229.75 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-ethylethanamine;hydrochloride is sourced from PubChem (CID 75531600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).