2-[3-(2,3-dimethylphenoxy)propylamino]ethanol

C13H21NO2 — CID 2249838

IUPAC2-[3-(2,3-dimethylphenoxy)propylamino]ethanol
SMILESCc1cccc(OCCCNCCO)c1C
InChIInChI=1S/C13H21NO2/c1-11-5-3-6-13(12(11)2)16-10-4-7-14-8-9-15/h3,5-6,14-15H,4,7-10H2,1-2H3
InChIKeyPPXSFTJSWWYLKO-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.65
Rot. Bonds7

About 2-[3-(2,3-dimethylphenoxy)propylamino]ethanol

2-[3-(2,3-dimethylphenoxy)propylamino]ethanol (PubChem CID 2249838) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[3-(2,3-dimethylphenoxy)propylamino]ethanol.

Molecular Properties

Compound Name2-[3-(2,3-dimethylphenoxy)propylamino]ethanol
PubChem CID2249838
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[3-(2,3-dimethylphenoxy)propylamino]ethanol
SMILESCc1cccc(OCCCNCCO)c1C
InChIInChI=1S/C13H21NO2/c1-11-5-3-6-13(12(11)2)16-10-4-7-14-8-9-15/h3,5-6,14-15H,4,7-10H2,1-2H3
InChIKeyPPXSFTJSWWYLKO-UHFFFAOYSA-N
XLogP1.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2,3-dimethylphenoxy)ethyl]propane-1,3-diamine
CID 82339438
2-(2,3-dimethylphenoxy)-N-ethylethanamine;hydrochloride
CID 75531600
2-[4-(2,3-dimethylphenoxy)butylamino]ethanethiol;sulfuric acid
CID 71436049
2-[3-(2,3-dimethoxyphenoxy)propylamino]ethanol
CID 39260375
N-(2-cyclohexyloxyethyl)-3-(2,3-dimethylphenoxy)propan-1-amine
CID 59854626
N-(cyclopentylmethyl)-2-(2,3-dimethylphenoxy)ethanamine
CID 62572121
4-[[3-(2,3-dimethylphenoxy)propylamino]methyl]benzoic acid
CID 122033633
5-(2,3-dimethylphenoxy)-N-methylpentan-1-amine
CID 62455061
2-[3-(2,3-dichlorophenoxy)propylamino]ethanol chloride
CID 71297106
1-(3-bromopropoxy)-2,3-dimethylbenzene
CID 6483771
3-[[3-(2,3-dimethylphenoxy)propylamino]methyl]benzoic acid
CID 122033632
3-(2-methylphenoxy)-N-propylpropan-1-amine
CID 29015661

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dimethylphenoxy)propylamino]ethanol?
The IUPAC name of 2-[3-(2,3-dimethylphenoxy)propylamino]ethanol (CID 2249838) is 2-[3-(2,3-dimethylphenoxy)propylamino]ethanol.
What is the SMILES notation for 2-[3-(2,3-dimethylphenoxy)propylamino]ethanol?
The canonical SMILES for 2-[3-(2,3-dimethylphenoxy)propylamino]ethanol is Cc1cccc(OCCCNCCO)c1C.
What is the InChIKey of 2-[3-(2,3-dimethylphenoxy)propylamino]ethanol?
The InChIKey is PPXSFTJSWWYLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-11-5-3-6-13(12(11)2)16-10-4-7-14-8-9-15/h3,5-6,14-15H,4,7-10H2,1-2H3.
What are the key properties of 2-[3-(2,3-dimethylphenoxy)propylamino]ethanol?
2-[3-(2,3-dimethylphenoxy)propylamino]ethanol has a molecular weight of 223.32 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dimethylphenoxy)propylamino]ethanol is sourced from PubChem (CID 2249838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).